Simultaneous determination of quality parameters in yerba mate (Ilex paraguariensis) samples by application of near-infrared (NIR) spectroscopy and partial least squares (PLS)

LWT ◽  
2020 ◽  
Vol 126 ◽  
pp. 109290 ◽  
Author(s):  
Gianina B. Rossi ◽  
Valeria A. Lozano
2012 ◽  
Vol 95 (3) ◽  
pp. 724-732 ◽  
Author(s):  
Alaa El-Gindy ◽  
Khalid Abdel-Salam Attia ◽  
Mohammad Wafaa Nassar ◽  
Nasr M A El-Abasawy ◽  
Maisra Al-Shabrawi Shoeib

Abstract A reflectance near-infrared (RNIR) spectroscopy method was developed for simultaneous determination of chondroitin (CH), glucosamine (GO), and ascorbic acid (AS) in capsule powder. A simple preparation of the sample was done by grinding, sieving, and compression of the powder sample for improving RNIR spectra. Partial least squares (PLS-1 and PLS-2) was successfully applied to quantify the three components in the studied mixture using information included in RNIR spectra in the 4240–9780 cm–1 range. The calibration model was developed with the three drug concentrations ranging from 50 to 150% of the labeled amount. The calibration models using pure standards were evaluated by internal validation, cross-validation, and external validation using synthetic and pharmaceutical preparations. The proposed method was applied for analysis of two pharmaceutical products. Both pharmaceutical products had the same active principle and similar excipients, but with different nominal concentration values. The results of the proposed method were compared with the results of a pharmacopoeial method for the same pharmaceutical products. No significant differences between the results were found. The standard error of prediction was 0.004 for CH, 0.003 for GO, and 0.005 for AS. The correlation coefficient was 0.9998 for CH, 0.9999 for GO, and 0.9997 for AS. The highly accurate and precise RNIR method can be used for QC of pharmaceutical products.


Author(s):  
Ph. Vermeulen ◽  
P. Flémal ◽  
O. Pigeon ◽  
P. Dardenne ◽  
J. Fernández Pierna ◽  
...  

Classical chromatographic methods, such as ultra performance liquid chromatography (UPLC), are used as reference methods to assess seed quality and homogeneous pesticide coating of seeds. These methods have some important drawbacks since they are time consuming, expensive, destructive and require a substantial amount of solvent, among others. Near infrared (NIR) spectroscopy seems to be an interesting alternative technique for the determination of the quality of seed treatment and avoids most of these drawbacks. The objective of this study was to assess the quality of pesticide coating treatment by near infrared hyperspectral imaging (NIR-HSI) by analysing, on a seed-by-seed basis, several seeds simultaneously in comparison to NIR spectroscopy and UPLC as the reference method. To achieve this goal, discrimination—partial least squares discriminant analysis (PLS-DA)—models and regression—partial least squares (PLS)—models were developed. The results obtained by NIR-HSI are compared to the results obtained with NIR spectroscopy and UPLC instruments. This study has shown the potential of NIR hyperspectral imaging to assess the quality/homogeneity of the pesticide coating on seeds.


2019 ◽  
Vol 2019 ◽  
pp. 1-8
Author(s):  
Hui Chen ◽  
Zan Lin ◽  
Chao Tan

The qualitative and quantitative determination of the components of textile fibers takes an important position in quality control. A fast and nondestructive method of simultaneously analyzing four fiber components in blended fabrics was studied by near-infrared (NIR) spectroscopy combined with multivariate calibration. Two sample sets including 39 and 25 samples were designed by simplex mixture lattice design methods and used for experiment. Four components include wool, polyester, polyacrylonitrile, and nylon and their mixture is one of the most popular formulas of textiles. Uninformative variable elimination-partial least squares (UVEPLS) and the full-spectrum partial least squares (PLS) were used as the tool. On the test set, the mean standard error of prediction (SEP) and the mean ratio of the standard deviation of the response variable and SEP (RPD) of the full-spectrum PLS model and UVEPLS model were 0.38, 0.32 and 7.6, 8.3, respectively. This result reveals that the UVEPLS can construct local models with acceptable and better performance than the full-spectrum PLS. It indicates that this method is valuable for nondestructive analysis in the field of wool content detection since it can avoid time-consuming, costly, and laborious wet chemical analysis.


2003 ◽  
Vol 493 (1) ◽  
pp. 83-94 ◽  
Author(s):  
Leticia López-Martı́nez ◽  
Pedro Luis López-de-Alba ◽  
Rosalinda Garcı́a-Campos ◽  
Luis M De León-Rodrı́guez

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