Abstract: Fourier Transform Infrared (FT-IR) spectroscopy coupled with chemometrics was used to distinguish between butter samples and non-butter samples. Further, quantification of the content of margarine in adulterated butter samples was investigated. Fingerprinting region (1400-800 cm–1) was used to develop unsupervised pattern recognition (Principal Component Analysis, PCA), supervised modeling (Soft Independent Modelling by Class Analogy, SIMCA), classification (Partial Least Squares Discriminant Analysis, PLS-DA) and regression (Partial Least Squares Regression, PLS-R) models. PCA of the fingerprinting region shows a clustering of the two sample types. All samples were classified in their rightful class by SIMCA approach; however, nine adulterated samples (between 1% and 30% w/w of margarine) were classified as belonging both at the butter class and at the non-butter one. In the two-class PLS-DA model’s (R2 = 0.73, RMSEP, Root Mean Square Error of Prediction = 0.26% w/w) sensitivity was 71.4% and Positive Predictive Value (PPV) 100%. Its threshold was calculated at 7% w/w of margarine in adulterated butter samples. Finally, PLS-R model (R2 = 0.84, RMSEP = 16.54%) was developed. PLS-DA was a suitable classification tool and PLS-R a proper quantification approach. Results demonstrate that FT-IR spectroscopy combined with PLS-R can be used as a rapid, simple and safe method to identify pure butter samples from adulterated ones and to determine the grade of adulteration of margarine in butter samples.
Abstract: The aim of the present study was to develop a rapid method for electronic nose for online quality control of oat milk. Analysis by electronic nose and bacteriological measurements were performed to analyze spoilage kinetics of oat milk samples stored at room temperature and refrigerated conditions for up to 15 days. Principal component analysis (PCA), Discriminant Factorial Analysis (DFA) and Soft Independent Modelling by Class Analogy (SIMCA) classification techniques were used to differentiate the samples of oat milk at different days. The total plate count (bacteriological method) was selected as the reference method to consistently train the electronic nose system. The e-nose was able to differentiate between the oat milk samples of varying microbial load. The results obtained by the bacteria total viable countsshowed that the shelf-life of oat milk stored at room temperature and refrigerated conditions were 20hrs and 13 days, respectively. The models built classified oat milk samples based on the total microbial population into “unspoiled” and “spoiled”.
Abstract: This paper deals with the application of Principal Component Analysis (PCA) and the Hotelling-s T2 Chart, using data collected from a drinking water treatment process. PCA is applied primarily for the dimensional reduction of the collected data. The Hotelling-s T2 control chart was used for the fault detection of the process. The data was taken from a United Utilities Multistage Water Treatment Works downloaded from an Integrated Program Management (IPM) dashboard system. The analysis of the results show that Multivariate Statistical Process Control (MSPC) techniques such as PCA, and control charts such as Hotelling-s T2, can be effectively applied for the early fault detection of continuous multivariable processes such as Drinking Water Treatment. The software package SIMCA-P was used to develop the MSPC models and Hotelling-s T2 Chart from the collected data.