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- MakaleYayıncıda açık erişim2022Scopus SJRQ3Information theory and machine learning based authentication of flaxseed oil using portable and handheld vibrational spectroscopy sensors
Aykas, Didem-Peren; Menevseoglu, Ahmed; Gunes, Nurhan
Flaxseed oil is one of the popular edible oils, and its adulteration has become a concern because of its high commodity value. Therefore, there is a need to detect adulterated flaxseeds with a rapid, non-invasive, and simple method to keep the quality of flaxseed oil. This study aimed to develop a machine learning algorithm and information theory to detect adulterated flaxseed oils by vibrational spectroscopy units combined with chemometrics. Oil spectra were collected with portable/handheld vibrational spectroscopic units and analyzed using conditional entropy, support vector machines (SVM), and soft independent modeling of class analogy (SIMCA) to generate classification models to identify the pureness of oils and partial least square regression (PLSR) to predict the adulterant levels and fatty acid distributions. Conditional entropy showed that two or three wavenumbers/shifts could discriminate the oils using machine learning algorithms with an accuracy of over 95%. SIMCA models determined the oils with an interclass distance (ICD) over 1.1. Specifically, the Fourier transform mid-infrared (FT-MIR) unit provided the best classification of the oils with ICD over 4.9. All instruments showed good performance in predicting fatty acids and adulteration levels with rval≥0.89 and standard error prediction (SEP) ≤1.7%. Overall, these portable/handheld units showed great potential for rapid, simple, and non-invasive monitoring to identify adulterated flaxseed oils.
AtıfScopus7WoS7OpenAlex7İncele
- MakaleAçık Erişim2020Scopus SJRQ2In situ monitoring of sugar content in breakfast cereals using a novel ft-nir spectrometer
Aykas, Didem Peren; Ball, Christopher; Menevseoglu, Ahmed; Rodriguez-Saona, Luis E.
This research demonstrates simultaneous predictions of individual and total sugars in breakfast cereals using a novel, handheld near-infrared (NIR) spectroscopic sensor. This miniaturized, battery-operated unit based on Fourier Transform (FT)-NIR was used to collect spectra from both ground and intact breakfast cereal samples, followed by real-time wireless data transfer to a commercial tablet for chemometric processing. A total of 164 breakfast cereal samples (60 store-bought and 104 provided by a snack food company) were tested. Reference analysis for the individual (sucrose, glucose, and fructose) and total sugar contents used high-performance liquid chromatography (HPLC). Chemometric prediction models were generated using partial least square regression (PLSR) by combining the HPLC reference analysis data and FT-NIR spectra, and associated calibration models were externally validated through an independent data set. These multivariate models showed excellent correlation (Rpre ≥ 0.93) and low standard error of prediction (SEP ≤ 2.4 g/100 g) between the predicted and the measured sugar values. Analysis results from the FT-NIR data, confirmed by the reference techniques, showed that eight store-bought cereal samples out of 60 (13%) were not compliant with the total sugar content declaration. The results suggest that the FT-NIR prototype can provide reliable analysis for the snack food manufacturers for on-site analysis.
AtıfScopus15WoS14OpenAlex14İncele

