Acyl migration incidence on accuracy of a triacylglycerol regioanalysis--a theoretical evaluation

We will consider the Grignard chemical deacylation to study the regioanalysis of triacylglycerols (TAGs). Using a given TAG structure, a cross-contamination model is developed and used for evaluating the incidence of the acyl migration and its influence on the accuracy of a regiospecific analysis of the molecule. Despite unavoidable isomerization, the newly formed alpha,beta-diacylglycerols are considered as most representative of the original TAG composition. In this paper, we present evidence that in conditions of limited acyl migration, the regiospecific distribution could more accurately be determined from the alpha-monoacylglycerol rather than through calculations based on the alpha,beta-diacylglycerols fraction.