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Tiruchirappalli, India

Krishna Kumar V.,Periyar University | Sangeetha R.,Nehru Memorial College Autonomous | Barathi D.,Nkr Government Arts College W | Mathammal R.,Salem College
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy | Year: 2014

The vibrational spectra of 5-nitroindan (NI) was computed using B3LYP methodology with 6-31G* and 6-31G** basis sets. The FTIR and FT-Raman spectra were recorded in the region 4000-400 cm-1 and 4000-50 cm-1 respectively. A similarity was achieved between the observed and calculated frequencies by refinement of the scale factors. The 1H and 13C NMR chemical shifts results were also compared with the experimental values. The Mulliken charges, the values of electric dipole moment (μ) of the molecule were computed using DFT calculations. The first order hyperpolarizability (β0) and related properties (β, α0, and Δα) of both are calculated using B3LYP method on the finite-field approach. The electronic properties HOMO and LUMO energies are calculated. Thermodynamic properties (heat capacity, entropy and enthalpy) of the title compound were calculated. © 2013 Elsevier B.V. All rights reserved. Source

Subash B.,Annamalai University | Krishnakumar B.,Annamalai University | Pandiyan V.,Nehru Memorial College Autonomous | Swaminathan M.,Annamalai University | Shanthi M.,Annamalai University
Materials Research Bulletin | Year: 2013

A novel WO3 loaded Ag-ZnO photocatalyst was successfully synthesized by a simple solvothermal method and characterized by X-ray diffraction (XRD), field emission scanning electron microscope (FE-SEM) images, energy dispersive spectrum (EDS), diffuse reflectance spectra (DRS), photoluminescence spectra (PL), cyclic voltammetry (CV) and Brunauer-Emmett- Teller (BET) surface area measurements. The photocatalytic activity of WO 3-Ag-ZnO was investigated for the degradation of RR 120 and RO 4 dyes in aqueous solution using UV-A light. WO3-Ag-ZnO is found to be more efficient than Ag-ZnO, WO3-ZnO, Ag-WO3, commercial ZnO, prepared ZnO, TiO2-P25 and TiO2 (Merck) at neutral pH for the mineralization of dyes. First time we have reported that novel WO 3 loaded Ag-ZnO has been found to be very efficient for two azo dyes removal when compared to commercially available catalyst (Degussa P25, ZnO (Merck) and TiO2 (Merck)). The mineralization of dyes has been confirmed by chemical oxygen demand (COD) measurements. A mechanism of degradation has been proposed for the higher efficiency of WO 3-Ag-ZnO. © 2012 Elsevier Ltd. Source

Neelamegam P.,SASTRA University | Jamaludeen A.,St. Josephs College | Rajendran A.,Nehru Memorial College Autonomous
Measurement: Journal of the International Measurement Confederation | Year: 2011

A predictive method, based on artificial neural network (ANN) has been developed to study absorbance and pH effects on the equilibrium of blood serum. This strategy has been used to analyze serum samples and to predict the calcium concentration in blood serum. A dedicated data acquisition system is designed and fabricated using a LPC2106 microcontroller with light emitting diode (LED) as source and photodiode as sensor to measure absorbance and to calculate the calcium concentration. A multilayer neural network with back propagation (BP) training algorithm is used to simulate different concentration of calcium (Ca2+) as a function of absorbance and pH, to correlate and predict calcium concentration. The computed calcium concentration by neural network is quite satisfactory with correlations R2 = 0.998 and 0.995, standard errors of 0.0127 and 0.0122 in validation and testing stages respectively. Statistical analysis are carried out to check the accuracy and precision of the proposed ANN model and validation of results produce a relative error of about 3%. These results suggest that ANN can be efficiently applied and is in good agreement with values obtained with the current clinical spectrophotometric methods. Hence, ANN can be used as a complementary tool for studying metal ion complexion, with special attention to the blood serum analysis. © 2010 Elsevier Ltd. All rights reserved. Source

Sridharan S.,SASTRA University | Gounder S.C.,Nehru Memorial College Autonomous
Asian Pacific Journal of Tropical Disease | Year: 2016

Objective: To investigate the pharmacognostic features and physiochemical properties of the leaves of Barleria montana Wight & Nees. Methods: The leaf samples were subjected to organoleptic, microscopic and macroscopic analysis. Physiochemical properties and fluorescence analysis of the sample under UV and daylight were studied as per World Health Organization norms. Results: Microscopic analysis showed that the plant possessed dorsiventral leaves, lamina, glandular trichomes, calcium carbonate cystoliths and adaxial epidermis. Physiochemical characters like ash and moisture content, extractive values, foreign matter and fluorescent characteristics of the leaf samples were determined and reported. Conclusions: Results obtained from these studies can be used as reliable markers in the identification and standardization of this plant as a herbal remedy. © 2016 Asian Pacific Tropical Medicine Press. Source

Gopal R.,Nehru Memorial College Autonomous | Gopal R.,Bharathidasan University | Venkatesan A.,Nehru Memorial College Autonomous | Lakshmanan M.,Bharathidasan University
Chaos | Year: 2013

We show that the recently introduced 0-1 test can successfully distinguish between strange nonchaotic attractors (SNAs) and periodic/quasiperiodic/chaotic attractors, by suitably choosing the arbitrary parameter associated with the translation variables in terms of the golden mean number which avoids resonance with the quasiperiodic force. We further characterize the transition from quasiperiodic to chaotic motion via SNAs in terms of the 0-1 test. We demonstrate that the test helps to detect different dynamical transitions to SNAs from quasiperiodic attractor or the transitions from SNAs to chaos. We illustrate the performance of the 0-1 test in detecting transitions to SNAs in quasiperiodically forced logistic map, cubic map, and Duffing oscillator. © 2013 AIP Publishing LLC. Source

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