Experimental data of partial molar volumes of amino acids and small peptides were compiled from several publications and enabled us to perform a predicative analysis based on quantitative structure-property relationships (QSPR). Based on the simplest level of the descriptors, the new method has high accuracy and was found to be more reliable when compared to the latter QSPR method based on topo...

The present research work discussed the development of a simple, sensitive, rapid, accurate, precise and economical UV Spectrophotometric method for the Validation of Oseltamivir Phosphate in bulk and pharmaceutical dosage form which is based on the measurement of absorption maxima at 217 nm. Double beam U.V visible spectrophotometers, Shimadzu, Kyoto, Japan. Model UV1800 with 1cm matched quart...

In this work, the solubilities of pharmaceutical cocrystals in solvent/anti-solvent systems were predicted using PC-SAFT in order to increase the efficiency of cocrystal formation processes. Modeling results and experimental data were compared for the cocrystal system nicotinamide/succinic acid (2:1) in the solvent/anti-solvent mixtures ethanol/water, ethanol/acetonitrile and ethanol/ethyl acet...

This application note describes the development of a multitarget method for the determination of 191 mycotoxins and other fungal metabolites as well as its validation in almonds, hazelnuts, peanuts, and pistachios. In addition to all mycotoxins regulated in the European Union, the method includes many mycotoxins that are frequently found in food. The method comprises a simple extraction with an...

Introduction: Fatty acid ethanolamides (FAEs) are a family of lipid mediators that participate in a host of biological functions. Procedures for the quantitative analysis of FAEs include organic solvent extraction from biological matrices (e.g., blood), followed by purification and subsequent quantitation by liquid chromatography-mass spectrometry (LC/MS) or gas chromatography-mass spectrometry...

BACKGROUND The goal of this study was to develop and to validate an improved isotope-dilution-liquid chromatography-tandem mass spectrometry (LC-MS/MS) method for the quantification of methylmalonic acid (MMA) in urine. METHODS A previously described sample preparation protocol requires two solvent extraction steps, including evaporation. The first extraction is to extract the analyte from th...

The development of the most recent generation of molecular mechanics force fields promises an increasingly predictive understanding of the protein dynamics-function relationship. Based on extensive validation against various types of experimental data, the AMBER force field ff99SB was benchmarked in recent years as a favorable force field for protein simulations. Recent improvements of the side...