title: Rapid determination of docosahexaenoic acid in powdered oil by near-infrared spectroscopy.
abstract: Near-infrared spectroscopy (NIRS) was used as a rapid and nondestructive method to determine the content of docosahexaenoic acid (DHA) in powdered oil samples. A total of 82 samples were scanned in the diffuse reflectance mode by Nicolet 5700 FTIR spectrometer and the reference values for DHA was measured by gas chromatography. Calibration equations were developed using partial least-squares regression (PLS) with internal cross-validation. Samples were split in two sets, one set used as calibration (n = 66) whereas the remaining samples (n=16) were used as validation set. Two mathematical treatments (first and second derivative), none (log(1/R)) and standard normal variate as scatter corrections and Savitzky-Golay smoothing were explored. To decide upon the number of PLS factors included in the PLS model, the model with the lowest root mean square error of cross-validation (RMSECV=0.44) for the validation set is chosen. The correlation coefficient (r) between the predicted and the reference results which used as an evaluation parameter for the models is 0.968. The root mean square error of prediction of the final model is 0.59. The results reported in this article demonstrate that FT-NIR measurements can serve as a rapid method to determine DHA in powdered oil.
authors.affiliation: State Key Laboratory of Food Science and Technology, Nanchang University, Nanchang 330047, China.
authors.lastname: Yang Meiyan
authors.lastname: Li Jing
authors.lastname: Nie Shaoping
authors.lastname: Hu Jielun
authors.lastname: Yu Qiang
authors.lastname: Xie Mingyong
authors.lastname: Xiong Hua
authors.lastname: Deng Zeyuan
authors.lastname: Zheng Weiwan
mesh_terms: D002138:Calibration; D002849:Chromatography, Gas; D004281:Docosahexaenoic Acids / Q000032:analysis* / Q000737:chemistry*; D016018:Least-Squares Analysis; D011208:Powders / Q000032:analysis*; D012044:Regression Analysis; D019265:Spectroscopy, Near-Infrared / Q000379:methods*
chemical_list: D011208:Powders; D004281:Docosahexaenoic Acids