关键词: 酯类添加剂, 迁移行为, QSPR, PE保鲜膜

Abstract: The migration of esters additives in PE film under the conditions of four different food stimulants (distilled water, 4% acetic acid, 20% ethanol and hexane) was explored by gas chromatography-flame ionization detector (GC-FID). The correlations between migration and initial content (c0) of esters additives, alcohol-water partition coefficient (lgP) of esters additives, topological index (Q0), polarity of food stimulants (Ps), temperature (T) and time (t) of migration were investigated, and a QSPR model was established. The correlation coefficient (R) for the established model and leave-one-out (LOO) cross validation coefficient (RLOO) were 0.9300 and 0.8950, respectively. Simultaneously, the stability of the established model were strictly analyzed by external validation and the Qext was 0.9282. Moreover, the actual application of the model was discussed. The results showed that the correlations between migration behavior and C0, lgP, Q0, Ps, T and t were significant and the established model revealed excellent stability and predictability. The proposed model can provide an important support to explore the migration of esters into packed foods.

Key words: PE film, esters additives, migration, quantitative structure property relationship(QSPR)