Volume-10 ~ Issue-9 ~ September-2017

Abstract: Thecompound 2-[2-(ethylamino-4-methylphenylaminothiazol)-5-oyl]benzothiazole was characterized by IR spectral data. The geometry of the molecule was investigated and optimized with the help of B3LYP/6-311G density functional theory (DFT) method using Gaussian 09' software package. The calculated geometries such as bond lengths,bond angle, dihedral angle atomic charges and intensities of Vibrational bonds of the titled compound were investigated. The IR spectra are obtained and assigned by vibrational analysis and found to be reliable compared with the experimental results. The calculated Homo and LUMO energy gaps also confirm that charge transfer occurs within the molecule...

Key words: Gaussian, DFT, B3LYP, Mullikencharges, HOMO, LUMO

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Abstract: Surfactants have gottremendous use in the solubilization of various substances which are otherwise immiscible in common solvent like water. This property of surfactants is also used to reduce the harmful sideeffects of many drugs to different organs like liver and kidney. In this paper a comparative study is made to find the effect of cationic surfactant (CTAB) and nonionic surfactant (Triton X 100) on micellar solubilisation of some antidiabetic drugs. The effect of increasing temperatureon solubilisation is also measured

Key words: CMC, CTAB, surfactants etc.

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[2] S.H.Yalkowsky. Combined effect of co-solvent and cyclodextrin on solubilization of non- polar drugs.J.Pharm.Sci.88, 967-969, 1999.

[3] P.M.Bhatt, N.V.Ravindra, R.Banerjee, and G.R.Desiraju, Saccharin as a salt former. Enhanced solubilities of saccharinates of active pharmaceutical ingredients.Chem.Commun.8, 1073-1075, 2005.
[4] A.B.Neilsen, K.Frydenvang, T.Liljefors,A.Buur, and C.Larsen.Assesment of the combined approach of N-alkylation and salt formation to enhance aqueous solubility of teritiary amines using bupivacaine as a model drug.Eur. J.Pharm. Sci.24, 85-93, 2005.
[5] NeelamSeedharand MamtakanojiaMicellarsolubilisation of some poorly soluble Anti-diabetic drugs. AAPS PharmSciTech, 9, 431, 2008.

Abstract: In this study, nano structured poly (Aniline-co-Anthranilic acid) (poly (ANI-co-ANA) was synthesized using simple chemicaloxidative polymerization.Poly (ANI-co-ANA) was characterizedbyFourier Transform Infrared Spectroscopy (FTIR), X-ray diffraction (XRD), and Transmission Electron Microscopy (TEM) to investigate both structural and morphological properties. The electrochemical performanceof poly (ANI-co-ANA) electrode was investigated using cyclic voltammetry and galvanostatic charge discharge techniques.Poly (ANI-co-ANA) has showed good capacitive behavior with a specific capacitance of 278.07 F/g at scan rate of 10 mV/s indicating that it can be considered as a promising candidate as electrode material for supercapacitors applications.

Key words: Poly (ANI-co-ANA); Specific capacity; Supercapacitors

[1] A. Salvatore Aricò, P. Bruce, B. Scrosati, J.-M.Tarascon, W. van Schalkwijk, Nanostructured materials for advanced energy
conversion and storage devices, Nature Materials, 4(2005)366.
[2] P. J. Hall, E.J. Bain,Energy-storage technologies and electricity generation,Energy Policy, 36 (2008) 4352.
[3] P. Simon, Y.Gogotsi, B. Dunn,Where Do Batteries End and Supercapacitors Begin?,Science,343 (2014) 1210.
[4] G. Zhang, X. Wen,General Solution Growth of Mesoporous NiCo2O4Nanosheets on Various Conductive Substrates as High-
Performance Electrodes for Supercapacitors,Advanced Materials, 25 (2013) 976.
[5] P. Simon, Y. Gogotsi,Materials for electrochemical capacitors, Nature Materials, 7(2008) 845..

Abstract: NMR, IR and Raman spectroscopic studies were used to probe the presence of MLCT phenomenon for four macrocyclic diamagnetic hexa-coordinate complexes: [L3Fe]2+ and [L3Co]3+, where (L= 2,2-bipyridine and 1,10-phenanthroline) for each complex by DFT implemented in ADF.2012.01 After pre-optimization of complexes, the NMR parameters: Chemical Shifts of constituents (δ Mn+, δ14N, δ13C, and δ1H), their total NMR shielding tensors (σMn+, σ14N, σ13C, and σ1H) containing 2 diamagnetic and 4 paramagnetic contributions, k and j were obtained by using the "NMR Program...........

Key words: Chemical Shift, Total NMR Shielding Tensor, Spin-Spin Coupling Constant, Fermi-contact, Effective Spin Hamiltonian

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[3] Pérez-Arredondo, M. d. l. L., González-Ponce, M. d. R., Ana Zanor, G., Ramirez Vazquez, J. A., and Segoviano-Garfias, J. J. N. (2015) Complex formation equilibria of 2,2′-bipyridyl and 1,10-phenanthroline with manganese(II) in methanol, Kar. Int. J. Mod. Sci. 1, 178-186.
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[5] Zheng, Q., Niu, Z., Ye, J., Zhang, S., Zhang, L., Li, L., Zhao, Y., and Zhang, X. (2017) High Voltage, Transition Metal Complex Enables Efficient Electrochemical Energy Storage in a Li-Ion Battery Full Cell, Adv. Funct. Mater. 27, 1604299..