Archives-March 2017

In this work, the Fourier transform Raman and Fourier transform infrared spectra of 2-Methylidene -4-oxo-4-[(2, 4, 5-trichlorophenyl) amino] butanoic acid were recorded. The structural and spectroscopic analyses of the above compound were made by using B3LYP/ DGDZVP2 and DGTZVP basis sets. The detailed interpretation of the vibrational spectra has been carried out with the aid of VEDA program. The observed and calculated frequencies are found to be in good agreement. NMR spectra have been recorded and analysed. To investigate microscopic second order non linear optical behavior of the title compound, the electric dipole moment ?, the polarizability ? and hyper polarizability ? were computed. According to our calculation, the title compound exhibiting non-zero ? total value revealing microscopic second order NLO behavior. The value of HOMO-LUMO, Mulliken and natural charges have been calculated and analyzed. The natural bond orbital analysis confirms the occurrences of intra-molecular charge transfer interaction. Electrostatic potential surface has been plotted for predicting the structural activity relationship. Global reactivity descriptors and Fukui functions have been calculated for predicting the chemical reactivity and the stability of the chemical system. To test the biological activity of the title compound docking studies have been carried out.

This paper is examined status of madheshi women in Nepal. In Nepalese context, the madheshi women as being on the lowest rung of caste hierarchy are deprived from the accessibility of different types of capital, symbolic, economic, and cultural except the social capital. They have low partake in different part of development activities of the country. Madheshi women are backward than Pahadi women communities women because of restricted equality and discrimination recognition due to deficiency of literacy..

Several synthetic chemicals used as preservative of food crops have been banned in some countries because of their toxicological effects (adverse reactions). This study aims the use of plant extracts as natural preservatives of a sorghum beer "tchakpalo". The drink has been produced following the traditional technology improved by the addition of the Mentha spicata L. essential oil. This essential oil was extracted by hydrodistillation with a Clevenger type apparatus and analyzed by gas chromatography and by gas chromatography coupled to mass spectrometry. The antifungal activity of this oil was evaluated by the method of diffusion in agar against the strains responsible of the alteration (Aspergillus flavus, Aspergillus parasiticus and Penicillium digitatum) isolated from "tchakpalo". The extraction yield of essential oil was 0.27% after 135 minutes. The major compounds identified in this essential oil were: carvone (66.57%), limonene (16.33%) and 1.8-cineole (7.22%). Antifungal activity evaluation showed fungicidal effect of this essential oil on A. flavus at a concentration of 0.27 mg/ml and has shown fungistatic effect on the other two fungi at the concentrations tested. The addition of this essential oil at 0.05 % in the beverage produced has made it stable during two (02) months. It would therefore be advisable to continue the studies on a longer "shelf life" in order to confirm the conservative effect of this essential oil.

Synthesis of photoadduct ([Co(NH3)3(C12H8N2)Cl] Cl2) based on [Co(NH3)5Cl]Cl2 and 1,10-phenenthroline (C12H8N2) has been successfully achieved by a photochemical route. The as prepared photoadduct has been subjected to different spectroscopic characterizations. The empirical formula mentioned for the photoadduct has been confirmed by CHN analysis. This was also supported by FTIR spectra. UV-Visible spectroscopy reflects the material to exhibit non-linear optical (NLO) properties as the material was shown to exhibit wide transparency in most part of visible region, which is an essential condition for NLO behavior. This has been confirmed by the second harmonic generation (SHG) test, which clearly revealed a greenish emission of wavelength 532 nm from an incident laser radiation of wavelength 1064 nm. The SHG efficiency for the photoadduct was found to be 0.46 times to that of standard KDP. Also, I-V characteristics shows the material to fallow ohmic behavior with a resistance of 1.2 M?. This has been attributed to the large band gap as obtained from UV-Visible spectra.

In this study, the Fourier Transform infrared (FT-IR) and FT-Raman spectra of 5-chloro-2-Hydroxy-3-Nitro Pyridine (CHNP) have been recorded in the range 4000-400 and 3500-50 cm-1respectively. The quantum mechanical calculations of energies, optimized geometries and fundamental vibrational wave numbers were calculated using the ab initio (HF) and DFT (B3LYP) gradient methods employing 6-311++G (d,p) basis set. The vibrational frequencies which were determined experimentaldata are compared with theoretical calculations. The complete assignments are performed on the basis of total energy distribution (TED) of the vibrational modes. The calculated HOMO-LUMO energy gap reveals that the charge transfer occurs within the molecule. Thermo dynamical properties like entropy, heat capacity, zero-point vibrational energy and Mulliken’s charge analysis have been calculated for CHNP.The most possible interaction is explained using nature bond orbital (NBO) analysis and the potential compound of non-linear optics (NLO) demands the investigation of its structural and bonding features contributing the hyperpolarizability. The optimized geometrical parameters, fundamental vibrational frequencies, IR intensity, Raman activity are calculated using the GAUSSIAN 09W program packages. The molecular docking results were clustered together and represented by the result with the most favourable free energy of binding. Keywords: FTIR; FT-Raman; HF and DFT; HOMO-LUMO; Mulliken charges;Molecular docking

Benzene is mainly used as an intermediate to make other chemicals; its mostly widely-produced derivatives include styrene, which is used to make polymers and plastics . Benzene is also used to make some types of rubbers, lubricants, dyes, detergents, drugs and pesticides. Natural sources of benzene include volcanoes and forest fires. At one time, chlorobenzene is the main precursor for the manufacture of phenol. The major use of chlorobenzene is an intermediate in the production of commodities such as herbicides, dyestuffs, and rubber. Chlorobenzene is also used as high-boiling solvent in many industrial applications as well as in the laboratory . As a continuation of the recent studies on structural and theoretical investigations of some substituted benzene derivatives, the main aspects of this investigation are: Structural analysis, molecular geometries and vibrational spectra of penta chloro nitrobenzene (PCNB) are calculated by applying density functional theory (DFT) and ab initio (HF) computations and thermodynamical parameters, NBO , NLO and Mulliken Charge analyses have been used to give more information regarding charge transfer within the molecules. Thermo dynamical properties like entropy, heat capacity, zero-point vibrational energy and Mulliken’s charge analysis have been calculated for PCNB. The most possible interaction is explained using nature bond orbital (NBO) analysis and the potential compound of non-linear optics (NLO) demands the investigation of its structural and bonding features contributing the hyperpolarizability. Keywords: FTIR; FT-Raman; HF and DFT; Mulliken charges; NBO; NLO *Corresponding author. Tel.:+919443189328, E-mail address: jjmarivu@yahoo.co.in

Internet banking has made drastic changes in the banking system of India. The Indian banking with its large network provides various kinds of E-Banking services to the customer. Now a day’s most of the banking transaction happens through E-touch. E-Banking is modernizing the whole system of the bank with the aid of technology. Though the bankers as well as the customers were facing some initial hitch with the introduction of E-Banking, later stages the country has witnessed a wide spread acceptance of technology for banking. The SBI and ICICI banks plays very crucial role in banking industries. The paper attempts to give an insight on various E-banking services and the latest development in E-Banking for the period of 2010-11 to 2015-16. The paper also focuses on the challenges faced by banking industry in adopting the E-banking with the help of IT.

Efficient energy conversion devices are the most important need of the hour looking at the global energy scenario. Catering to this need, better and more efficient designs are been put forward regularly. New and better methods of energy conversion are also been proposed. The use of Turbocharger in an engine is an example of the same. But the critical examination and of these devices is of utmost importance. Simulation is a tool that can reduce the efforts that need to be put in physically and can carry out virtual calculations and can respond the results too. There are various pre-programmed software that contain a variety of models that can be employed to study the parametric variation and carry out the simulation. This paper deals with study of three such turbulence models namely the k-epsilon, k-omega and the Shear Stress Transport model. A number of parameters will be considered and simulations will be carried out on all the three models with the view of determining the most suitable model among the three with the ability to provide optimum results for the study of a turbocharger turbine stator optimized for producer gas. The results will be obtained in the form of graphs and contour images which will be studied to determine the most suitable model for further use. Based on the results, suitable conclusion will be drawn and stated towards the end.

We are very happy to announce that from 7th March 2017, Dr. Leelavinothan Pari has joined the team of Elixir Editorial Advisory Board. He/She will carry a special responsibility for dealing with manuscripts based on Biochemistry & Biotechnology. Dr. Leelavinothan Pari working as Professor, Department of Biochemistry and Biotechnology, Faculty of Science, Annamalai University, Annamalainagar-608002,Tamil Nadu, India. The appointment of Dr. Leelavinothan Pari as member Editorial Advisory Board strengthens the links and will make it easier for prospective authors to establish contact with the journal.

We are very happy to announce that from 10th March 2017, Dr. Arvind Prasad Dwivedi has joined the team of Elixir Editorial Advisory Board. He/She will carry a special responsibility for dealing with manuscripts based on Chemistry. Dr. Arvind Prasad Dwivedi working as Lecturer Department of Chemistry, Govt. Sanjay Gandhi Smrati, College, Sidhi (M.P.). The appointment of Dr. Arvind Prasad Dwivedi as member Editorial Advisory Board strengthens the links and will make it easier for prospective authors to establish contact with the journal.