Determination of quality traits and possible adulteration of molasses using FT-IR spectroscopy: A study from Turkish market.

We aimed to develop portable Fourier transform infrared (FT-IR) spectroscopy-based prediction algorithms for the key quality characteristics (soluble solids, water activity, pH, sucrose, glucose, fructose, fructose/glucose, hydroxymethylfurfural) of various types of molasses, establish their legitimacy, and create a model to separate them based on their botanical origin. Samples labeled as carob (n = 27), grape (n = 24), Juniper (n = 13), and mulberry (n = 12) were purchased from different local markets in Turkey. Labeling issues were revealed in five carob and seven grape molasses, and those samples classified as non-authentic by the FT-IR algorithms were corroborated by reference analysis. Partial least squares regression models generated to predict the key quality traits of Turkish molasses demonstrated excellent correlation with reference analysis (R2Val ≥ 0.96) and low standard error of prediction (SEP ≤ 2.88). The FT-IR sensor provided a feasible approach for molasses testing to assess its quality through manufacturing and storage, also provided a powerful tool to -ensure proper product labeling.

Non-invasive quantification of vitamin C, citric acid, and sugar in 'Valência' oranges using infrared spectroscopies.

Near (NIR) and mid (MIR) infrared spectroscopies have been studied as potential methods for non-destructive analyses of the fresh fruits quality. In this study, vitamin C, citric acid, total and reducing sugar content in 'Valência' oranges were evaluated using NIR and MIR spectroscopy with multivariate analysis. The spectral data were used to build up prediction models based on PLS (Partial Least Squares) regression. For vitamin C and citric acid, both NIR (r = 0.72 and 0.77, respectively) and MIR (0.81 and 0.91, respectively) resulted in feasible models. For sugars determination the two techniques presented a strong correlation between the reference values and analytical signals, with low RMSEP and r > 0.70 (NIR: sucrose RMSEP = 12.2 and r = 0.75; glucose RMSEP = 6.77 and r = 0.82; fructose RMSEP = 5.07 and r = 0.81; total sugar RMSEP = 12.1 and r = 0.80; reducing sugar RMSEP = 20.32 and r = 0.82; MIR: sucrose RMSEP = 9.47 and r = 0.80; glucose RMSEP = 6.70 and r = 0.82; fructose RMSEP = 5.20 and r = 0.81; total sugar RMSEP = 11.72 and r = 0.81; reducing sugar RMSEP = 20.42 and r = 0.81). The models developed with MIR presented lower prediction error rates than those made with NIR. Therefore, infrared techniques show applicability to determine of orange quality parameters in a non-destructive way.

Rapid Authentication of Potato Chip Oil by Vibrational Spectroscopy Combined with Pattern Recognition Analysis.

The objective of this study was to develop a rapid technique to authenticate potato chip frying oils using vibrational spectroscopy signatures in combination with pattern recognition analysis. Potato chip samples (n = 118) were collected from local grocery stores, and the oil was extracted by a hydraulic press and characterized by fatty acid profile determined by gas chromatography equipped with a flame ionization detector (GC-FID). Spectral data was collected by a handheld Raman system (1064 nm) and a miniature near-infrared (NIR) sensor, further being analyzed by SIMCA (Soft Independent Model of Class Analogies) and PLSR (Partial Least Square Regression) to develop classification algorithms and predict the fatty acid profile. Supervised classification by SIMCA predicted the samples with a 100% sensitivity based on the validation data. The PLSR showed a strong correlation (Rval > 0.97) and a low standard error of prediction (SEP = 1.08-3.55%) for palmitic acid, oleic acid, and linoleic acid. 11% of potato chips (n = 13) indicated a single oil in the label with a mislabeling problem. Our data supported that the new generation of portable vibrational spectroscopy devices provided an effective tool for rapid in-situ identification of oil type of potato chips in the market and for surveillance of accurate labeling of the products.

In-Situ Screening of Soybean Quality with a Novel Handheld Near-Infrared Sensor.

This study evaluates a novel handheld sensor technology coupled with pattern recognition to provide real-time screening of several soybean traits for breeders and farmers, namely protein and fat quality. We developed predictive regression models that can quantify soybean quality traits based on near-infrared (NIR) spectra acquired by a handheld instrument. This system has been utilized to measure crude protein, essential amino acids (lysine, threonine, methionine, tryptophan, and cysteine) composition, total fat, the profile of major fatty acids, and moisture content in soybeans (n = 107), and soy products including soy isolates, soy concentrates, and soy supplement drink powders (n = 15). Reference quantification of crude protein content used the Dumas combustion method (AOAC 992.23), and individual amino acids were determined using traditional protein hydrolysis (AOAC 982.30). Fat and moisture content were determined by Soxhlet (AOAC 945.16) and Karl Fischer methods, respectively, and fatty acid composition via gas chromatography-fatty acid methyl esterification. Predictive models were built and validated using ground soybean and soy products. Robust partial least square regression (PLSR) models predicted all measured quality parameters with high integrity of fit (RPre ≥ 0.92), low root mean square error of prediction (0.02-3.07%), and high predictive performance (RPD range 2.4-8.8, RER range 7.5-29.2). Our study demonstrated that a handheld NIR sensor can supplant expensive laboratory testing that can take weeks to produce results and provide soybean breeders and growers with a rapid, accurate, and non-destructive tool that can be used in the field for real-time analysis of soybeans to facilitate faster decision-making.

Non-Destructive Quality Assessment of Tomato Paste by Using Portable Mid-Infrared Spectroscopy and Multivariate Analysis.

This research aims to provide simultaneous predictions of tomato paste's multiple quality traits without any sample preparation by using a field-deployable portable infrared spectrometer. A total of 1843 tomato paste samples were supplied by four different leading tomato processors in California, USA, over the tomato seasons of 2015, 2016, 2017, and 2019. The reference levels of quality traits including, natural tomato soluble solids (NTSS), pH, Bostwick consistency, titratable acidity (TA), serum viscosity, lycopene, glucose, fructose, ascorbic acid, and citric acid were determined by official methods. A portable FT-IR spectrometer with a triple-reflection diamond ATR sampling system was used to directly collect mid-infrared spectra. The calibration and external validation models were developed by using partial least square regression (PLSR). The evaluation of models was conducted on a randomly selected external validation set. A high correlation (RCV = 0.85-0.99) between the reference values and FT-IR predicted values was observed from PLSR models. The standard errors of prediction were low (SEP = 0.04-35.11), and good predictive performances (RPD = 1.8-7.3) were achieved. Proposed FT-IR technology can be ideal for routine in-plant assessment of the tomato paste quality that would provide the tomato processors with accurate results in shorter time and lower cost.

Non-Targeted Authentication Approach for Extra Virgin Olive Oil.

The aim of this study is to develop a non-targeted approach for the authentication of extra virgin olive oil (EVOO) using vibrational spectroscopy signatures combined with pattern recognition analysis. Olive oil samples (n = 151) were grouped as EVOO, virgin olive oil (VOO)/olive oil (OO), and EVOO adulterated with vegetable oils. Spectral data was collected using a compact benchtop Raman (1064 nm) and a portable ATR-IR (5-reflections) units. Oils were characterized by their fatty acid profile, free fatty acids (FFA), peroxide value (PV), pyropheophytins (PPP), and total polar compounds (TPC) through the official methods. The soft independent model of class analogy analysis using ATR-IR spectra showed excellent sensitivity (100%) and specificity (89%) for detection of EVOO. Both techniques identified EVOO adulteration with vegetable oils, but Raman showed limited resolution detecting VOO/OO tampering. Partial least squares regression models showed excellent correlation (Rval ≥ 0.92) with reference tests and standard errors of prediction that would allow for quality control applications.