Comparative Study of CBS-Q Calculated and Experimental pKa Values for Fluoro-acetoxy Derivative

The pKa values were calculated for some acetoxy group molecules using CBS-Q method which is one of the Complete Basis Set methods to find accurate energies. The acetoxy group molecules were also planned by Quantitative Structure Activity Relationship (QSAR) to study their effect on paraoxonase1 activity. The results of this study showed a strong relationship,
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A simple, sensitive and accurate kinetic spectrophotometric method for the determination of Rizatriptan Benzoate in pure and dosage form is described. The method is based on spectrophotometrically monitored oxidation of the drug by a known excess of Chloramine-B in HCl medium using initial rate, fixed time and variable time method in HCl medium. The oxidized
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Fire retardant properties of the bark extract of Sterculia setigera on flexible polyurethane foam were investigated. The foam was treated with different concentrations of the extract and its flammability characteristics were compared with that of untreated sample. The result indicated increase in Ignition Time and Percentage Char with the increase in concentration of the incorporated
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Ultrasonic studies, densities and viscosities of binary liquid mixture of ethylamine and benzyl alcohol have been measured at different temperatures at 30ºC, 35ºC and 40ºC. The experimental value of speed of sound (u), isentropic compressibility (βs), intermolecular free length (Lf), viscosity (η), available volume (Va), molar volume (Vm) and Nissan’s parameter (d) have been calculated
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The potential use of castor oil in preparation of novel biodegradable polymeric pressure sensitive adhesives and fiber reinforced polyester composites was investigated. A biodegradable oligomeric fumarated resin was prepared by the insitu hydroxylation of castor oil followed by maleation under controlled reaction conditions. Then two varieties of biodegradable pressure sensitive adhesives (PSAs) were prepared by
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Aminosalicylates are derivatives of the highly functionalized compound aminosalicylic acid. Benzothiazoyl salicylates were obtained in this work from the highly functionalized aminosalicylic acid by reacting ammonium thioureas as a nucleophile to aminosalicylates that were derived from aminosalicylic acid and bromine was used as the cyclising agent. Results obtained indicated that it was the brominated cyclised
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Aims: The study aims: (I) To synthesise N-(4-(tert-butyl) benzyl)-1-(4-tert-butyl) phenyl)-N-methyl methanaminium chloride, an  analogue  of butenafine from tertiary-butyl benzyl derivatives, (II) to compare the solvent actions of Tetrahydrofuran (THF), acetonitrile, methanol and 1,2-dichloroethane (DCE), and the reducing efficiencies of NaBH4 and sodium triacetoxyborohydride (STAB) during the synthesis. Study Design: The study involved laboratory experiments leading
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The study of heterocyclic systems provides most fascinating field for exploration in view of variety of interesting and intricate reactions, which lead to synthesis of unusual systems having diversities in their skeletal pattern. In this context, various new heterocycles and derivatives are synthesized with increased biological activities and less toxicity. Benzo-fused azoles containing three heteroatoms,
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Heavy metal concentration in roadside soil and plants are increasingly becoming of health concern. Especially with the continue increase in anthropogenic activities such as industries and urbanization which releases pollutants in to the environment without control and effects remedies. Heavy metal is any metal that is toxic regardless of their density or atomic mass. Heavy
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In the liquid-liquid and solid-liquid systems there is possible to promote the chemical precipitation of certain species by controlling the physical-chemical conditions of the liquid media. In the case of solid-liquid interactions the chemical precipitates can adsorb on the surface of particles modifying their surface properties (i.e. during milling), whereas for the liquid-liquid system this
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