This paper outlines the application of chemometrics and pattern recognition tools to classify palm oil using Fourier Transform Mid Infrared spectroscopy (FT-MIR). FT-MIR spectroscopy is used as an effective analytical tool in order to categorise the oil into the category of unused palm oil and used palm oil for frying. The samples used in this study consist of 28 types of pure palm oil, and 28 types of frying palm oils. FT-MIR spectral was obtained in absorbance mode at the spectral range from 650 cm -1 to 4000 cm -1 using FT-MIR-ATR sample handling. The aim of this work is to develop fast method in discriminating the palm oils by implementing Partial Least Square Discriminant Analysis (PLS-DA), Learning Vector Quantisation (LVQ) and Support Vector Machine (SVM). Raw FT-MIR spectra were subjected to Savitzky-Golay smoothing and standardized before developing the classification models. The classification model was validated through finding the value of percentage correctly classified by test set for every model in order to show which classifier provided the best classification. In order to improve the performance of the classification model, variable selection method known as t-statistic method was applied. The significant variable in developing classification model was selected through this method. The result revealed that PLSDA classifier of the standardized data with application of t-statistic showed the best performance with highest percentage correctly classified among the classifiers.
The nature of caffeine reveals that it is a bitter white crystalline alkaloid. It is a common ingredient in a variety of drinks (soft and energy drinks) and is also used in combination with various medicines. In order to maintain the optimum level of caffeine, various spectrophotometric methods have been developed. The monitoring of caffeine is very important aspect because of its consumption in higher doses that can lead to various physiological disorders. This paper incorporates various spectrophotometric methods used in the analysis of caffeine in various environmental samples such as pharmaceuticals, soft and energy drinks, tea, and coffee. A range of spectrophotometric methodologies including chemometric techniques and derivatization of spectra have been used to analyse the caffeine.