Pattern recognition-based Raman spectroscopy for non-destructive detection of pomegranates during maturity

Abstract In this study, the feasibility of utilizing Fourier transform Raman spectroscopy, combined with supervised and unsupervised pattern recognition methods was considered, to distinguish the maturity stage of pomegranate “Ashraf variety” during four distinct maturity stages between 88 and 143 days after full bloom. Principal component analysis (PCA) as an unsupervised pattern recognition method was performed to verify the possibility of clustering of the pomegranate samples into four groups. Two supervised pattern recognition techniques namely, partial least squares Discriminant Analysis (PLS-DA) and Soft Independent Modeling of Class Analogy (SIMCA) were also used as powerful supervised pattern recognition methods to classify the samples. The results showed that in all groups of samples, the Raman spectra of the samples were correctly clustered using PCA. The accuracy of the SIMCA classification for differentiation of four pomegranate groups was 82%. Also, the overall discriminant power of PLS-DA classes was about 96%, and 95% for calibration and validation sample sets, respectively. Due to the misclassification among different classes of immature pomegranates, that was lower than the expected, it was not possible to discriminate all the immature samples in individual classes. However, when considering only the two main categories of “immature” and “mature”, a reasonable separation between the classes were obtained using supervised pattern recognition methods of SIMCA and PLS-DA. The SIMCA based on PCA modeling could correctly categorize the samples in two classes of immature and mature with classification accuracy of 100%.