Study And Application Of Detection Method And QSRR Of Fatty Acids In Edible Vegetable Oils

With the continuous improvement of people living standard, people payed more and more attention on diet nutrition and health. As one of the three major nutrients of human body, the edible oil is essential ingredient in humans’ diet. In recent years, nutrition, health of edible oils and their fatty acid composition have become the focus topic. Fatty acid composition of cooking oils is one of the important indicators to measure their nutritional value, therefore, the research of detection and fatty acid composition of fatty acids in edible oils is particularly important. This thesis mainly studied the chromatographic separating method of fatty acids in edible vegetable oils and their structure-activity relationship. And nutritional blending oil, which could meet the demand of human nutrition, was developed. The main contents and conclusions are as follows:1、In order to effectively study the relationship between the structure of fatty acids in edible vegetable oil and their gas chromatographic retention time (tR),32 fatty acid methyl esters in a literature were studied. The descriptors for characterization of the molecular structure were screened systematically, and the SEDs were chosen to be the best parameter. The model of quantitative structure retention time (QSRR) of the above mentioned 32 fatty acid methyl esters was established. At the same time, the stability and predictability of the established model were analyzed using internal and external validations. The results showed that the correlation coefficient(R) of the model, leave-one-out cross validation (RCV) and external validation (Q2ext) were 0.9990,0.9970 and 0.9860, respectively, which indicated that the SEDs could better characterize the structural features of fatty acid methyl esters, and the model is good of stability and predict ability.2、The separation conditions of 37 fatty acid methyl esters were determined by gas chromatography-hydrogen flame ionization detector (GC-FID). Then the relationship between the SEDs valves and retention time was studied, and the model of quantitative structure retention time (QSRR) of 37 fatty acid methyl esters was built. The R of the built model, Rcv and Q2ext were 0.9990,0.9951 and 0.9995, respectively, which suggested that the above determined separating method was applied to qualitative testing of 8 plant oil samples to examine the actual application of the built model, and good results were obtained.3、According to the proportion of SFA:MUFA:PUFA=1:1:1, n-6:n-3=4～6:1, and combining with the dietary status of residents at this stage, the mathematical model of blend oil with reasonable fatty acids was established. Adding sesame oil with rich a-linolenic acid, three blending oils which can meet the demand of human body health were harmonized. The detected ratios of SFA:MUFA:PUFA and n-6:n-3 of these three blend oils were 1:2.060:2.745 and 3.816:1,1:2.058:2.744 and 4.913:1,1:2.052:2.737 and 6.097:1, respectively.