Search results for "In silico saponification"

One-Pot Analysis: a New Integrated Methodology for Determination of TAG and FA Determination through LC/MS and in-silico Saponification

2017

Vegetable oils differ significantly for their lipid profile and are mainly constituted by triacylglycerols (TAGs). These are esters formed bonding glycerol to three fatty acids (FAs). To the best of our knowledge, FA and TAG profiles in oils and fats are obtained using at least two different experimental techniques. In particular, FA determination requires elaborated procedures for sample preparation and analyte derivatization. In this work, we propose a one-pot analysis able to determine both TAG and FA contents of edible oils, using experimental data obtained from a simple liquid chromatography/mass spectrometry determination of TAGs. This experimental procedure is followed by an in silic…