ABSTRACT
Spectroscopy data are useful for modelling biological systems such as predicting quality parameters of horticultural products. However, using the wide spectrum of wavelengths is not practical in a production setting. Such data are of high dimensional nature and they tend to result in complex models that are not easily understood. Furthermore, collinearity between different wavelengths dictates that some of the data variables are redundant and may even contribute noise. The use of variable selection methods is one efficient way to obtain an optimal model, andthis was the aim of this work. Taking advantage of a non-contact spectrometer, near infrared spectral data in the range of 800-2500 nm were used to classify bruise damage in three apple cultivars, namely 'Golden Delicious', 'Granny Smith' and 'Royal Gala'. Six prominent machine learning classification algorithms were employed, and two variable selection methods were used to determine the most relevant wavelengths for the problem of distinguishing between bruised and non-bruised fruit. The selected wavelengths clustered around 900 nm, 1300 nm, 1500 nm and 1900 nm. The best results were achieved using linear regression and support vector machine based on up to 40 wavelengths: these methods reached precision values in the range of 0.79-0.86, which were all comparable (within error bars) to a classifier based on the entire range of frequencies. The results also provided an open-source based framework that is useful towards the development of multi-spectral applications such as rapid grading of apples based on mechanical damage, and it can also be emulated and applied for other types of defects on fresh produce.
ABSTRACT
Rooibos is brewed from the medicinal plant Aspalathus linearis. It has a well-established wide spectrum of bio-activity properties, which in part may be attributed to the phenolic antioxidant power. The antioxidant capacity (AOC) of rooibos is related to its total phenolic content (TPC). The relation between TPC and AOC of randomly selected 51 fermented (FR) and 47 unfermented (UFR) rooibos samples was studied after extraction using water and methanol separately. The resulted extracts were assessed using two antioxidant assays, trolox equivalent antioxidant capacity (TEAC) and ferric reducing antioxidant power (FRAP). The results were analyzed using both simple statistical methods and machine learning. The analysis showed different trends of TPC and AOC correlations of FR and UFR samples, depending on the solvent used for extraction. The results of the water extracts showed similar TPC and higher AOC of FR than UFR samples, while the methanolic extracted samples showed higher TPC and AOC of UFR than FR. As a result, the methanolic extracts showed better agreement between TPC and AOC than water extracts. Possible explanations are given for these observed results. Although, the current literature demonstrates direct correlations of the TPC and AOC of rooibos water extracts. This study showed deviation and highlighted the importance of solvent selection and analysis methodology as an important factor in determining the TPC/AOC correlation and subsequently the expectation of the actual health benefits of rooibos herbal tea. In particular, unfermented and fermented samples can be accurately identified on the basis of a combination of assays (any two of TPC, FRAP and TEAC), especially if methanol is the solvent used. Machine learning analysis of assay data provides nearly identical results with classical statistical analytical methods. This is the first report on machine learning analysis and comparison of the TPC and AOC of rooibos herbal tea extracted with methanol and water, and highlights the importance of using methanol as a solvent to evaluate its AOC.
