Classification of the geographical origin of argan kernels by infrared spectroscopy and chemometrics

Although Hom Mali rice is considered the highest quality rice in Thailand, it is susceptible to adulteration and substitution. There is a need for rapid, low-cost and efficient analytical techniques for monitoring the authenticity and geographical origin of Thai Hom Mali rice. In this study, two infrared spectroscopy techniques, Fourier-transform infrared spectroscopy with attenuated total reflection (FTIR-ATR) and near-infrared (NIR) spectroscopy, were applied and compared for the differentiation of Thai Hom Mali rice from two geographical regions over two production years. The Orthogonal Projections to Latent Structures Discriminant Analysis (OPLS-DA) model, built using spectral data from the benchtop FTIR-ATR, achieved 96.97% and 100% correct classification of the test dataset for each of the production years, respectively. The OPLS-DA model, built using spectral data from the portable handheld NIR, achieved 84.85% and 86.96% correct classification of the test dataset for each of the production years, respectively. Direct NIR analysis of the polished rice grains (i.e., no sample preparation) was determined as reliable for analysis of ground rice samples. FTIR-ATR and NIR spectroscopic analysis both have significant potential as screening tools for the rapid detection of fraud issues related to the geographical origin of Thai Hom Mali rice.

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Quantification and Classification of Diclofenac Sodium Content in Dispersed Commercially Available Tablets by Attenuated Total Reflection Infrared Spectroscopy and Multivariate Data Analysis

Pharmaceuticals ◽

10.3390/ph14050440 ◽

2021 ◽

Vol 14 (5) ◽

pp. 440

Author(s):

Eirini Siozou ◽

Vasilios Sakkas ◽

Nikolaos Kourkoumelis

Keyword(s):

Infrared Spectroscopy ◽

Low Cost ◽

Diclofenac Sodium ◽

Reference Method ◽

Sodium Content ◽

Attenuated Total Reflection ◽

Accuracy And Precision ◽

Significant Difference ◽

Ft Ir

A new methodology, based on Fourier transform infrared spectroscopy equipped with an attenuated total reflectance accessory (ATR FT-IR), was developed for the determination of diclofenac sodium (DS) in dispersed commercially available tablets using chemometric tools such as partial least squares (PLS) coupled with discriminant analysis (PLS-DA). The results of PLS-DA depicted a perfect classification of the tablets into three different groups based on their DS concentrations, while the developed model with PLS had a sufficiently low root mean square error (RMSE) for the prediction of the samples’ concentration (~5%) and therefore can be practically used for any tablet with an unknown concentration of DS. Comparison with ultraviolet/visible (UV/Vis) spectrophotometry as the reference method revealed no significant difference between the two methods. The proposed methodology exhibited satisfactory results in terms of both accuracy and precision while being rapid, simple and of low cost.

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