Characteristics of Low-Molecular Weight Carboxylic Acids in PM2.5 and

Characteristics of Low-Molecular Weight Carboxylic Acids in PM2.5 and PM10 Ambient Aerosols From Tanzania

Determination of Carboxylic Acids in Apple Juice by RP HPLC

Low molecular weight organic acids are most predominant in apple juice among these components fumaric acid was not exceed more than 5 ppm. It was thought that the HPLC is the best method of the determination of organic acids in the apple juice. In this study, chromatographic separation of organic acids of apple juice was obtained by preparing a sample and by applying them to acid phase for ...

A Computational Study of Cytotoxicity of Substituted Amides of Pyrazine-2-carboxylic acids Using QSAR and DFT Based Molecular Surface Electrostatic Potential

Pyrazine derivatives are important class of compounds with diverse biological and cytotoxic activities and clinical applications. In this study, B3 p 86 / 6 – 31 + + G * was used to compute and map the molecular surface electrostatic potentials of a group of substituted amides of pyrazine-2-carboxylic acids to identify common features related to their subsequent cytotoxicities. Several statisti...

A Computational Study of Cytotoxicity of Substituted Amides of Pyrazine-2-carboxylic acids Using QSAR and DFT Based Molecular Surface Electrostatic Potential

Pyrazine derivatives are important class of compounds with diverse biological and cytotoxic activities and clinical applications. In this study, B3 p 86 / 6 – 31 + + G * was used to compute and map the molecular surface electrostatic potentials of a group of substituted amides of pyrazine-2-carboxylic acids to identify common features related to their subsequent cytotoxicities. Several statisti...

Prediction of accurate pKa values of some α-substituted carboxylic acids with low cost of computational methods

The acidity constants (pKa) of thirty four (34) ;-substituted carboxylic acids in aqueous solution havebeen calculated using conductor-like polarizable continuum (C-PCM) solvation model. The gasphaseenergies at the Density Functional Theory (DFT-MPW1PW91) and solvation energies atHartree Fock (HF) are combined to estimate the pKa values which are very close to the experimentalvalues where, and ...