拉曼光谱法定量分析山茶油中脂肪酸.PDFVIP

2013, Vol.34, No.18 137 1,2 1 3 (1. 3300132. 212143 3. 330038) ()70 (SPA) (PLS) (SSNV)SPA (Rp) R (RMSEP)0.9172.1910.9811.078400044 p RMSEP0.9400.0580.9690.047 43 Quantitative Determination of Fatty Acids in Camellia Oil by Using Raman Spectroscopy 1,2 1 3 HAO Yong SUN Xu-dong GENG Xiang (1. College of Mechanical and Electronical Engineering, East China Jiaotong University, Nanchang 330013, China 2. Jiangsu Hengshun Vinegar Industry Co. Ltd., Zhenjiang 212143, China 3. Jiangxi Entry-Exit Inspection and Quarantine Bureau, Nanchang 330038, China) Abstract Raman spectroscopy (RS) was applied for the rapid quantitative determination of fatty acids (palmitic acid and tetradecanoic acid). Totally 70 camellia oil samples were prepared and subjected to Raman spectral analysis. Raw spectra, wavelet derivative (WD) spectra and standard normal variate (SNV) spectra combined with successive projections algorithm (SPA) were adopted to optimize partial least square (PLS) models for quantitative analysis of fatty acids. The results showed that standard normal variate (SNV) and SPA could be used for the optimization of PLS models of fatty acids. The precision of the models was improved, and modeling variables were simplified. The correlation coefficient of prediction (Rp) and root mean square error of prediction (RMSEP) for the palmitic acid model were optimized from 0.917 and 2.191 to 0.981 and 1.078, and the modeling variables were reduced from 4000 to 44. For the tetradecanoic acid model, the Rp and RMSEP were optimi