Sánchez Ana M, Carmona Manuel, Zalacain Amaya, Carot José M, Jabaloyes José M, Alonso Gonzalo L
Cátedra de Química Agrícola, ETSI Agrónomos, Universidad Castilla-La Mancha, 02071 Albacete, Spain.
J Agric Food Chem. 2008 May 14;56(9):3167-75. doi: 10.1021/jf703725e. Epub 2008 Apr 12.
The aim of this work was the development of multivariate models able to determine the content of the main crocetin esters and picrocrocin from spectrophotometric data that could be used for routine quality control of saffron. These compounds were determined with HPLC in Spanish saffron, and their absorbance spectra from 190 to 700 nm were simultaneously monitored. Partial least-squares regression (PLSR) models have been obtained and applied to the determination of individual crocetin esters, to the sum of crocetin esters, and to picrocrocin. A modification of the Kennard-Stone algorithm was used to divide the pool of samples into calibration and validation subsets. The best predictions were obtained with the sum of crocetin esters model, followed by the model for cis-crocetin (beta- D-glucosyl)-(beta- D-gentiobiosyl) ester, trans-crocetin di-(beta- D-gentiobiosyl) ester, and trans-crocetin (beta- D-glucosyl)-(beta- D-gentiobiosyl) ester, whereas the worst predictions were found with the picrocrocin and trans-crocetin (beta- D-gentiobiosyl) ester models. These models may enhance quality control in saffron enterprises.
这项工作的目的是开发多元模型，该模型能够根据分光光度数据确定主要藏红花酸酯和藏红花苦苷的含量，可用于藏红花的常规质量控制。这些化合物在西班牙藏红花中通过高效液相色谱法测定，并同时监测其在190至700纳米的吸收光谱。已获得偏最小二乘回归（PLSR）模型，并将其应用于单个藏红花酸酯、藏红花酸酯总和以及藏红花苦苷的测定。使用肯纳德-斯通算法的一种改进方法将样本集划分为校准子集和验证子集。藏红花酸酯总和模型得到的预测效果最佳，其次是顺式藏红花酸（β-D-葡萄糖基）-（β-D-龙胆二糖基）酯、反式藏红花酸二（β-D-龙胆二糖基）酯和反式藏红花酸（β-D-葡萄糖基）-（β-D-龙胆二糖基）酯模型，而藏红花苦苷和反式藏红花酸（β-D-龙胆二糖基）酯模型的预测效果最差。这些模型可能会加强藏红花企业的质量控制。
