Abstract
The potential of Fourier transform infrared (FT-IR), near-infrared (NIR), and
Raman spectroscopic techniques combined with partial least squares (PLS) regression
(PLSR) to predict concentrations of eicosapentaenoic acid (EPA), docosahexaenoic
acid (DHA), and total omega-3 fatty acids (n-3 FAs) in fish oil supplements
was investigated. FT-IR spectroscopy predicted EPA (coefficient of determination
(R2) of 0.994, standard error of cross-validation (SECV) of
2.90%, and standard error of prediction (SEP) of 2.49%) and DHA
(R2 = 0.983, SECV = 2.89%, and SEP = 2.55%) with six to seven
PLS factors, whereas a simpler PLS model with two factors was obtained for total
n-3 FAs (R2 = 0.985, SECV = 2.73%, and SEP = 2.75%).
Selected regions in the NIR spectra gave models with good performances and predicted
EPA (R2 = 0.979, SECV = 2.43%, and SEP = 3.11%) and DHA
(R2 = 0.972, SECV = 2.34%, and SEP = 2.60%) with four to six
PLS factors. Both the whole and selected NIR regions gave simple models (two PLS
factors) with similar results (R2 = 0.997, SECV = 2.18%, and
SEP = 1.60%) for total n-3 FAs. The whole and selected regions of Raman
spectra provided models with comparable results and predicted EPA
(R2 = 0.977, SECV = 3.18%, and SEP = 2.73%) and DHA
(R2 = 0.966, SECV = 3.31%, and SEP = 2.56%) with seven to
eight PLS factors, whereas a simpler model (three PLS factors) with
R2 = 0.993, SECV = 2.82%, and SEP = 3.27% was obtained for
total n-3 FAs. The results demonstrated that FT-IR, NIR, and Raman
spectroscopy combined with PLSR can be used as simple, fast, and nondestructive
methods for quantitative analysis of EPA, DHA, and total n-3 FAs. FT-IR and
NIR spectroscopy, in particular, have the potential to be applied in process
industries during production of fish oil supplements.
PDF Article
More Like This
Cited By
You do not have subscription access to this journal. Cited by links are available to subscribers only. You may subscribe either as an Optica member, or as an authorized user of your institution.
Contact your librarian or system administrator
or
Login to access Optica Member Subscription