title: Determination of total nitrogen content, pH, density, refractive index, and brix in Thai fish sauces and their classification by near-infrared spectroscopy with searching combination moving window partial least squares.
abstract: Near-infrared (NIR) transflectance spectra in the region of 1100-2500 nm were measured for 100 Thai fish sauces. Quantitative analyses of total nitrogen (TN) content, pH, refractive index, density and brix in the Thai fish sauces and their qualitative analyses were carried out by multivariate analyses with the aid of wavelength interval selection method named searching combination moving window partial least squares (SCMWPLS). The optimized informative region for TN selected by SCMWPLS was the region of 2264-2428 nm. A PLS calibration model, which used this region, yielded the lowest root mean square error of prediction (RMSEP) of 0.100% w/v for the PLS factor of 5. This prediction result is significantly better than those obtained by using the whole spectral region or informative regions selected by moving window partial least squares regression (MWPLSR). As for pH, density, refractive index and brix, the 1698-1722, and 2222-2258 nm regions, the 1358-1438 nm region, the 1774-1846, and 2078-2114 nm regions, and the 1322-1442, and 2000-2076 nm regions were selected by SCMWPLS as the optimized regions. The best prediction results were always obtained by use of the optimized regions selected by SCMWPLS. The lowest RMSEP for pH, density, refractive index and brix were 0.170, 0.007 g cm(-3), 0.0079 and 0.435 degrees Brix, respectively. Qualitative models were developed by using four supervised pattern recognitions, linear discriminant analysis (LDA), factor analysis-linear discriminant analysis (FA-LDA), soft independent modeling of class analog (SIMCA), and K neareat neighbors (KNN) for the optimized combination of informative regions of the NIR spectra of fish sauces to classify fish sauces into three groups based on TN. All the developed models can potentially classify the fish sauces with the correct classification rate of more than 82%, and the KNN classified model has the highest correct classification rate (95%). The present study has demonstrated that NIR spectroscopy combined with SCMWPLS is powerful for both the quantitative and qualitative analyses of Thai fish sauces.
authors.affiliation: Department of Chemistry and Research Center for Near-Infrared Spectroscopy, School of Science and Technology, Kwansei-Gakuin University, Sanda, Hyogo, 669-1337, Japan.
authors.forename: Pitiporn
authors.initials: P
authors.lastname: Ritthiruangdej
authors.forename: Sumaporn
authors.initials: S
authors.lastname: Kasemsumran
authors.forename: Thongchai
authors.initials: T
authors.lastname: Suwonsichon
authors.forename: Vichai
authors.initials: V
authors.lastname: Haruthaithanasan
authors.forename: Warunee
authors.initials: W
authors.lastname: Thanapase
authors.forename: Yukihiro
authors.initials: Y
authors.lastname: Ozaki
mesh_terms: D000818:Animals; D001208:Asia; D002138:Calibration; D003627:Data Interpretation, Statistical; D005285:Fermentation; D005396:Fish Products / Q000032:analysis*; D005506:Food Contamination / Q000032:analysis*; D006801:Humans; D006863:Hydrogen-Ion Concentration; D016018:Least-Squares Analysis; D009584:Nitrogen / Q000032:analysis*; D012031:Refractometry; D019265:Spectroscopy, Near-Infrared
chemical_list: D009584:Nitrogen