Minati Kuanar

Cetyltrimethylammonium dichromate : A phase-transferring oxidant

Abstract A phase‐transferring oxidant, cetyltrimethylammonium dichromate (CTADC) has been prepared and characterized from elemental analysis and spectral data. Application of this reagent to oxidize alcohols, aldehyde, and cinnamic acid is reported.

A Short Review of the Generation of Molecular Descriptors and Their Applications in Quantitative Structure Property/Activity Relationships

BACKGROUND Synthesis of organic compounds with specific biological activity or physicochemical characteristics needs a thorough analysis of the enumerable data set obtained from literature. Quantitative structure property/activity relationships have made it simple by predicting the structure of the compound with any optimized activity. For that there is a paramount data set of molecular descriptors (MD). This review is a survey on the generation of the molecular descriptors and its probable applications in QSP/AR. METHODS Literatures have been collected from a wide class of research journals, citable web reports, seminar proceedings and books. The MDs were classified according to their generation. The applications of the MDs on the QSP/AR have also been reported in this review. RESULTS The MDs can be classified into experimental and theoretical types, having a sub classification of the later into structural and quantum chemical descriptors. The structural parameters are derived from molecular graphs or topology of the molecules. Even the pixel of the molecular image can be used as molecular descriptor. In QSPR studies the physicochemical properties include boiling point, heat capacity, density, refractive index, molar volume, surface tension, heat of formation, octanol-water partition coefficient, solubility, chromatographic retention indices etc. Among biological activities toxicity, antimalarial activity, sensory irritant, potencies of local anesthetic, tadpole narcosis, antifungal activity, enzyme inhibiting activity are some important parameters in the QSAR studies. CONCLUSION The classification of the MDs is mostly generic in nature. The application of the MDs in QSP/AR also has a generic link. Experimental MDs are more suitable in correlation analysis than the theoretical ones but are more expensive for generation. In advent of sophisticated computational tools and experimental design proliferation of MDs is inevitable, but for a highly optimized MD, studies on generation of MD is an unending process.

Effect of substituents on the absorption spectra andpK values of some azo dyes derived from thiobarbituric acid

A series of azo dyes from aromatic diazonium salts and thiobarbituric acid have been synthesised and their UV-Vis spectra have been recorded in neutral media and at two extremepH values. The absorption maxima have been correlated with Swain-Lupton’sF andR parameters using Williams-Norrington’s weightage factors. ThepK values of the dyes have also been determined and are highly predictable using Williams-Norrington’s model.