Application of Multivariate Analyses to NIR Spectra of Gelatinized Starch

1992 ◽  
Vol 46 (9) ◽  
pp. 1420-1425 ◽  
Author(s):  
D. Bertrand ◽  
C. N. G. Scotter
Keyword(s):  
Discriminant Analysis ◽  
Near Infrared ◽  
Multivariate Analyses ◽  
Principal Component Regression ◽  
Principal Component ◽  
Effect Of Temperature ◽  
Linear Discriminant ◽  
Starch Gelatinization ◽  
Gelatinized Starch ◽  
The Relationship

This paper describes an approach for studying collections of near-infrared spectra by using multivariate analyses. The method is illustrated with the use of two sets of spectra of gelatinized starch, recorded in the transmission mode between 650 and 1235 nm. The first set consisted of 99 spectra of partly gelatinized samples (from 24.5 to 100% gelatinization). Application of principal component analysis (PCA) made it possible to identify an outlying sample and to identify the importance of spectral variations due to the effect of scattering. Hence, it was possible to eliminate the scatter variations. From principal component regression (PCR), it was shown that the relationship between corrected spectra and gelatinization was not linear. Discriminant analysis was applied to seven classes of starch gelatinization. Only five samples out of 98 were incorrectly identified. The second set of samples was designed for studying the effect of temperature variation on the spectra of fully gelatinized starch samples. It was possible to show from PCR that the relationship between the spectra and temperature was linear. The “spectral patterns” assessed from discriminant analysis of starch gelatinization and from the PCR of temperature were compared.

scholarly journals A fast and low-cost approach to quality control of alcohol-based hand sanitizer using portable near infrared spectrometer and chemometrics

2021 ◽  
pp. 096703352098731
Author(s):  
Adenilton C da Silva ◽  
Lívia PD Ribeiro ◽  
Ruth MB Vidal ◽  
Wladiana O Matos ◽  
Gisele S Lopes
Keyword(s):  
Quality Control ◽  
Discriminant Analysis ◽  
Near Infrared ◽  
Nir Spectroscopy ◽  
Principal Component ◽  
Partial Least Square ◽  
Least Square ◽  
Chemical Components ◽  
Linear Discriminant ◽  
Hand Sanitizer

The use of alcohol-based hand sanitizers is recommended as one of several strategies to minimize contamination and spread of the COVID-19 disease. Current reports suggest that the virucidal potential of ethanol occurs at concentrations close to 70%. Traditional methods of verifying the ethanol concentration in such products invite potential errors due to the viscosity of chemical components or may be prohibitively expensive to undertake in large demand. Near infrared (NIR) spectroscopy and chemometrics have already been used for the determination of ethanol in other matrices and present an alternative fast and reliable approach to quality control of alcohol-based hand sanitizers. In this study, a portable NIR spectrometer combined with classification chemometric tools, i.e., partial least square discriminant analysis (PLS–DA) and linear discriminant analysis with successive algorithm projection (SPA–LDA) were used to construct models to identify conforming and non-conforming commercial and laboratory synthesized hand sanitizer samples. Principal component analysis (PCA) was applied in an exploratory data study. Three principal components accounted for 99% of data variance and demonstrate clustering of conforming and non-conforming samples. The PLS–DA and SPA–LDA classification models presented 77 and 100% of accuracy in cross/internal validation respectively and 100% of accuracy in the classification of test samples. A total of 43% commercial samples evaluated using the PLS–DA and SPA–LDA presented ethanol content non-conforming for hand sanitizer gel. These results indicate that use of NIR spectroscopy and chemometrics is a promising strategy, yielding a method that is fast, portable, and reliable for discrimination of alcohol-based hand sanitizers with respect to conforming and non-conforming ethanol concentrations.

scholarly journals Evaluation of Visible-Near Infrared Reflectance Spectra of Avocado Leaves as a Non-destructive Sensing Tool for Detection of Laurel Wilt

Plant Disease ◽  
2012 ◽  
Vol 96 (11) ◽  
pp. 1683-1689 ◽  
Author(s):  
Sindhuja Sankaran ◽  
Reza Ehsani ◽  
Sharon A. Inch ◽  
Randy C. Ploetz
Keyword(s):  
Discriminant Analysis ◽  
Vegetation Index ◽  
Near Infrared ◽  
Principal Component ◽  
Persea Americana ◽  
Near Infrared Reflectance ◽  
Laurel Wilt ◽  
Linear Discriminant ◽  
Raffaelea Lauricola ◽  
Non Destructive

Laurel wilt, caused by the fungus Raffaelea lauricola, affects the growth, development, and productivity of avocado, Persea americana. This study evaluated the potential of visible-near infrared spectroscopy for non-destructive sensing of this disease. The symptoms of laurel wilt are visually similar to those caused by freeze damage (leaf necrosis). In this work, we performed classification studies with visible-near infrared spectra of asymptomatic and symptomatic leaves from infected plants, as well as leaves from freeze-damaged and healthy plants, both of which were non-infected. The principal component scores computed from principal component analysis were used as input features in four classifiers: linear discriminant analysis, quadratic discriminant analysis (QDA), Naïve-Bayes classifier, and bagged decision trees (BDT). Among the classifiers, QDA and BDT resulted in classification accuracies of higher than 94% when classifying asymptomatic leaves from infected plants. All of the classifiers were able to discriminate symptomatic-infected leaves from freeze-damaged leaves. However, the false negatives mainly resulted from asymptomatic-infected leaves being classified as healthy. Analyses of average vegetation indices of freeze-damaged, healthy (non-infected), asymptomatic-infected, and symptomatic-infected leaves indicated that the normalized difference vegetation index and the simple ratio index were statistically different.

Comparison of Multivariate Calibration and Discriminant Analysis in Evaluating NIR Spectroscopy for Determination of Meat Tenderness

1997 ◽  
Vol 51 (3) ◽  
pp. 350-357 ◽  
Author(s):  
Tormod Næs ◽  
Kjell Ivar Hildrum
Keyword(s):  
Discriminant Analysis ◽  
Reference Values ◽  
Near Infrared ◽  
Multivariate Calibration ◽  
Principal Component Regression ◽  
Nir Spectroscopy ◽  
Principal Component ◽  
Meat Tenderness ◽  
Intermediate Group ◽  
Calibration Methods

Often the primary goal of analytical measurement tasks is not to find good estimates of continuous reference values but rather to determine whether a sample belongs to one of a number of categories or subgroups. In this paper the potential of different statistical techniques in the classification of raw beef samples in tenderness subgroups was studied. The reference values were based on sensory analysis of beef tenderness of 90 samples from bovine M. longissimus dorsi muscles. The sample set was divided into three categories—very tough, intermediate, and very tender—according to degree of tenderness. A training set of samples was used to find the relationship between category and near-infrared (NIR) spectroscopic measurements. The study indicates that classical discriminant analysis has advantages in comparison to multivariate calibration methods [i.e., principal component regression (PCR)], in this application. One reason for this observation seems to be that PCR underestimates high measurement values and overestimates low values. In this way most samples are assigned to the intermediate group of samples, causing a small number of erroneous classifications for the intermediate subgroup, but a large number of errors for the two extreme groups. With the use of PCR the number of correct classifications in the extreme subgroups was as low as 23%, while the use of discriminate analysis increased this number to almost 60%. The number of classifications in correct or neighbor subgroup for the two extreme subgroups was equal to 97%. A “bias-correction” was also attempted for PCR, and this gave results comparable to the best results obtained by discriminant analysis methods. Test sets used NIR analysis of fresh, raw beef samples with different processing. While this spectroscopic approach had previously been shown to be useful with frozen products, it appears unsuitable at this time for fresh beef. However, its marginal analytical utility proved useful in evaluating the two classification approaches employed in this study.

scholarly journals Near-Infrared Spectroscopy as a Diagnostic Tool for Distinguishing between Normal and Malignant Colorectal Tissues

2015 ◽  
Vol 2015 ◽  
pp. 1-7 ◽  
Author(s):  
Hui Chen ◽  
Zan Lin ◽  
Lin Mo ◽  
Tong Wu ◽  
Chao Tan
Keyword(s):  
Discriminant Analysis ◽  
Near Infrared ◽  
Nir Spectroscopy ◽  
Principal Component ◽  
Projection Algorithm ◽  
Diagnostic Model ◽  
Full Spectrum ◽  
Analytical Strategy ◽  
Linear Discriminant ◽  
Parsimonious Model

Cancer diagnosis is one of the most important tasks of biomedical research and has become the main objective of medical investigations. The present paper proposed an analytical strategy for distinguishing between normal and malignant colorectal tissues by combining the use of near-infrared (NIR) spectroscopy with chemometrics. The successive projection algorithm-linear discriminant analysis (SPA-LDA) was used to seek a reduced subset of variables/wavenumbers and build a diagnostic model of LDA. For comparison, the partial least squares-discriminant analysis (PLS-DA) based on full-spectrum classification was also used as the reference. Principal component analysis (PCA) was used for a preliminary analysis. A total of 186 spectra from 20 patients with partial colorectal resection were collected and divided into three subsets for training, optimizing, and testing the model. The results showed that, compared to PLS-DA, SPA-LDA provided more parsimonious model using only three wavenumbers/variables (4065, 4173, and 5758 cm−1) to achieve the sensitivity of 84.6%, 92.3%, and 92.3% for the training, validation, and test sets, respectively, and the specificity of 100% for each subset. It indicated that the combination of NIR spectroscopy and SPA-LDA algorithm can serve as a potential tool for distinguishing between normal and malignant colorectal tissues.

scholarly journals Moving-window bis-correlation coefficients method for visible and near-infrared spectral discriminant analysis with applications

2018 ◽  
Vol 11 (02) ◽  
pp. 1850005 ◽  
Author(s):  
Lijun Yao ◽  
Weiqun Xu ◽  
Tao Pan ◽  
Jiemei Chen
Keyword(s):  
Discriminant Analysis ◽  
Near Infrared ◽  
Large Population ◽  
Correlation Coefficients ◽  
Nir Spectroscopy ◽  
Principal Component ◽  
Moving Window ◽  
Linear Discriminant ◽  
Transgenic Sugarcane ◽  
Polynomial Formula

The moving-window bis-correlation coefficients (MW-BiCC) was proposed and employed for the discriminant analysis of transgenic sugarcane leaves and [Formula: see text]-thalassemia with visible and near-infrared (Vis–NIR) spectroscopy. The well-performed moving-window principal component analysis linear discriminant analysis (MW-PCA–LDA) was also conducted for comparison. A total of 306 transgenic (positive) and 150 nontransgenic (negative) leave samples of sugarcane were collected and divided to calibration, prediction, and validation. The diffuse reflection spectra were corrected using Savitzky–Golay (SG) smoothing with first-order derivative ([Formula: see text]), third-degree polynomial ([Formula: see text]) and 25 smoothing points ([Formula: see text]). The selected waveband was 736–1054[Formula: see text]nm with MW-BiCC, and the positive and negative validation recognition rates ([Formula: see text]_REC[Formula: see text], [Formula: see text]_REC[Formula: see text] were 100%, 98.0%, which achieved the same effect as MW-PCA–LDA. Another example, the 93 [Formula: see text]-thalassemia (positive) and 148 nonthalassemia (negative) of human hemolytic samples were collected. The transmission spectra were corrected using SG smoothing with [Formula: see text], [Formula: see text] and [Formula: see text]. Using MW-BiCC, many best wavebands were selected (e.g., 1116–1146, 1794–1848 and 2284–2342[Formula: see text]nm). The [Formula: see text]_REC[Formula: see text] and [Formula: see text]_REC[Formula: see text] were both 100%, which achieved the same effect as MW-PCA–LDA. Importantly, the BiCC only required calculating correlation coefficients between the spectrum of prediction sample and the average spectra of two types of calibration samples. Thus, BiCC was very simple in algorithm, and expected to obtain more applications. The results first confirmed the feasibility of distinguishing [Formula: see text]-thalassemia and normal control samples by NIR spectroscopy, and provided a promising simple tool for large population thalassemia screening.

The Use of Visible and near Infrared Spectroscopy to Classify the Floral Origin of Honey Samples Produced in Uruguay

2005 ◽  
Vol 13 (2) ◽  
pp. 63-68 ◽  
Author(s):  
E. Corbella ◽  
D. Cozzolino
Keyword(s):  
Principal Component Analysis ◽  
Infrared Spectroscopy ◽  
Discriminant Analysis ◽  
Sample Preparation ◽  
Near Infrared Spectroscopy ◽  
Near Infrared ◽  
Nir Spectroscopy ◽  
Principal Component ◽  
Classification Models ◽  
Linear Discriminant

This study reports the use of visible (vis) and near infrared (NIR) spectroscopy as a tool to classify honey samples from Uruguay, according to their floral origin. Classification models were developed using principal component analysis, discriminant partial least squares (DPLS) regression and linear discriminant analysis (LDA). Honey samples ( n = 50) from two floral origins, namely Eucalyptus spp. and pasture, were split randomly into even calibration ( n = 25) and validation sets ( n = 25). Both LDA and DPLS models correctly classified, on average, more than 75% of the honey samples belonging to pasture and more than 85% of the honey samples belonging to Eucalyptus spp. These results showed that vis-NIR might be a suitable and alternative method that can easily be implemented by both the industry and retailers to classify samples according their floral origin. Vis-NIR analysis requires little sample preparation and is rapid. However, the relatively limited number of samples involved in the present work led us to be cautious in terms of extrapolating the results of this work to other floral types.

Classification of Apple Using near Infrared Spectroscopy Based on Fuzzy Discriminant Analysis

2013 ◽  
Vol 710 ◽  
pp. 524-528 ◽  
Author(s):  
Xiao Hong Wu ◽  
Xing Xing Wan ◽  
Bin Wu ◽  
Fan Wu
Keyword(s):  
Infrared Spectroscopy ◽  
Discriminant Analysis ◽  
Near Infrared Spectroscopy ◽  
Near Infrared ◽  
Principal Component ◽  
K Nearest Neighbor ◽  
Near Infrared Reflectance ◽  
Linear Discriminant ◽  
Discriminant Information

Classification of apple is an important link in postharvest commercialization processing. To realize the non-destructive, rapid and effective discrimination of apple fruits, the near infrared reflectance spectra of four varieties of apples were collected using near infrared spectroscopy, reduced by principal component analysis (PCA) and used to extract the discriminant information by linear discriminant analysis (LDA), quadratic discriminant analysis (QDA), fuzzy discriminant analysis (FDA) and Foley-Sammon discriminant analysis. Finally k-nearest neighbor finished the classification. The classification results showed that FDA could extract the discriminant information of NIR spectra more effectively, and achieved the highest classification accuracy.

Principal Discriminant Variate Method for Classification of Multicollinear Data: Applications to Near-Infrared Spectra of Cow Blood Samples

2002 ◽  
Vol 56 (4) ◽  
pp. 488-501 ◽  
Author(s):  
Jian-Hui Jiang ◽  
Roumiana Tsenkova ◽  
Yuqing Wu ◽  
Ru-Qin Yu ◽  
Yukihiro Ozaki
Keyword(s):  
Discriminant Analysis ◽  
Blood Plasma ◽  
Near Infrared ◽  
Principal Component ◽  
Significant Loss ◽  
Superior Performance ◽  
Plasma Samples ◽  
Blood Samples ◽  
Linear Discriminant ◽  
Promising Tool

A new regularized discriminant analysis technique, the principal discriminant variate (PDV) method, has been developed for effectively handling multicollinear data commonly encountered in multivariate spectroscopy-based classification. The motivation behind this method is to seek a sequence of discriminant directions that not only optimize the separability between different classes, but also account for a maximized variation present in the data. This motivation furnishes the PDV method with improved stability in prediction without significant loss of separability. Different formulations for the PDV methods are suggested, and an effective computing procedure is proposed for a PDV method. Two sets of near-infrared (NIR) spectra data, one corresponding to the blood plasma samples from two cows and the other associated with the whole blood samples from mastitic and healthy cows, have been used to evaluate the behavior of the PDV method in comparison with principal component analysis (PCA), discriminant partial least-squares (DPLS), soft independent modeling of class analogies (SIMCA), and Fisher linear discriminant analysis (FLDA). Results obtained demonstrate that the NIR spectra of blood plasma samples from different classes are clearly discriminated by the PDV method, and the proposed method provides superior performance to PCA, DPLS, SIMCA, and FLDA, indicating that PDV is a promising tool in discriminant analysis of spectra-characterized samples with only small compositional differences.

Nondestructive NIR and NIT Determination of Protein, Fat, and Water in Plastic-Wrapped, Homogenized Meat

1992 ◽  
Vol 46 (11) ◽  
pp. 1685-1694 ◽  
Author(s):  
Tomas Isaksson ◽  
Charles E. Miller ◽  
Tormod Næs
Keyword(s):  
Diffuse Reflectance ◽  
Near Infrared ◽  
Multivariate Calibration ◽  
Principal Component Regression ◽  
Principal Component ◽  
Prediction Errors ◽  
Optimal Test ◽  
Meat Samples ◽  
Water Contents

In this work, the abilities of near-infrared diffuse reflectance (NIR) and transmittance (NIT) spectroscopy to noninvasively determine the protein, fat, and water contents of plastic-wrapped homogenized meat are evaluated. One hundred homogenized beef samples, ranging from 1 to 23% fat, wrapped in polyamide/polyethylene laminates, were used. Results of multivariate calibration and prediction for protein, fat, and water contents are presented. The optimal test set prediction errors (root mean square error of prediction, RMSEP), obtained with the use of the principal component regression method with NIR data, were 0.45, 0.29 and 0.50 weight % for protein, fat, and water, respectively, for plastic-wrapped meat (compared to 0.40, 0.28 and 0.45 wt % for unwrapped meat). The optimal prediction errors for the NIT method were 0.31, 0.52 and 0.42 wt % for protein, fat, and water, respectively, for plastic-wrapped meat samples (compared to 0.27, 0.38, and 0.37 wt % for unwrapped meat). We can conclude that the addition of the laminate only slightly reduced the abilities of the NIR and NIT method to predict protein, fat, and water contents in homogenized meat.

scholarly journals Analysis of Different Classification Techniques for Two-Class Functional Near-Infrared Spectroscopy-Based Brain-Computer Interface

2016 ◽  
Vol 2016 ◽  
pp. 1-11 ◽  
Author(s):  
Noman Naseer ◽  
Nauman Khalid Qureshi ◽  
Farzan Majeed Noori ◽  
Keum-Shik Hong
Keyword(s):  
Infrared Spectroscopy ◽  
Discriminant Analysis ◽  
Near Infrared Spectroscopy ◽  
Near Infrared ◽  
Continuous Wave ◽  
Mental Arithmetic ◽  
Statistical Significance ◽  
Support Vector ◽  
Functional Near Infrared Spectroscopy ◽  
Linear Discriminant

We analyse and compare the classification accuracies of six different classifiers for a two-class mental task (mental arithmetic and rest) using functional near-infrared spectroscopy (fNIRS) signals. The signals of the mental arithmetic and rest tasks from the prefrontal cortex region of the brain for seven healthy subjects were acquired using a multichannel continuous-wave imaging system. After removal of the physiological noises, six features were extracted from the oxygenated hemoglobin (HbO) signals. Two- and three-dimensional combinations of those features were used for classification of mental tasks. In the classification, six different modalities, linear discriminant analysis (LDA), quadratic discriminant analysis (QDA),k-nearest neighbour (kNN), the Naïve Bayes approach, support vector machine (SVM), and artificial neural networks (ANN), were utilized. With these classifiers, the average classification accuracies among the seven subjects for the 2- and 3-dimensional combinations of features were 71.6, 90.0, 69.7, 89.8, 89.5, and 91.4% and 79.6, 95.2, 64.5, 94.8, 95.2, and 96.3%, respectively. ANN showed the maximum classification accuracies: 91.4 and 96.3%. In order to validate the results, a statistical significance test was performed, which confirmed that thepvalues were statistically significant relative to all of the other classifiers (p< 0.005) using HbO signals.

Sign in / Sign up

Export Citation Format

Share Document