scholarly journals Discrimination of E uterpe oleracea  Mart. (Açaí) and E uterpe edulis  Mart. (Juçara) Intact Fruit Using Near-Infrared (NIR) Spectroscopy and Linear Discriminant Analysis

2015 ◽  
Vol 39 (6) ◽  
pp. 2856-2865 ◽  
Author(s):  
Yara Gurgel Dall' Acqua ◽  
Luis Carlos Cunha Júnior ◽  
Viviani Nardini ◽  
Valquira Garcia Lopes ◽  
José Dalton da Cruz Pessoa ◽  
...  
Keyword(s):  
Discriminant Analysis ◽  
Linear Discriminant Analysis ◽  
Near Infrared ◽  
Nir Spectroscopy ◽  
Linear Discriminant

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 Rapid Recognition of Geoherbalism and Authenticity of a Chinese Herb by Data Fusion of Near-Infrared Spectroscopy (NIR) and Mid-Infrared (MIR) Spectroscopy Combined with Chemometrics

2019 ◽  
Vol 2019 ◽  
pp. 1-9 ◽  
Author(s):  
Haiyan Fu ◽  
Qiong Shi ◽  
Liuna Wei ◽  
Lu Xu ◽  
Xiaoming Guo ◽  
...  
Keyword(s):  
Discriminant Analysis ◽  
Data Fusion ◽  
Near Infrared ◽  
Chinese Herb ◽  
Nir Spectroscopy ◽  
Chinese Herbs ◽  
Angelica Dahurica ◽  
Mid Infrared ◽  
Linear Discriminant ◽  
Mir Spectroscopy

Fourier transform near-infrared (NIR) spectroscopy and mid-infrared (MIR) spectroscopy play important roles in all fingerprint techniques because of their unique characteristics such as reliability, versatility, precision, and ease of measurement. In this paper, a supervised pattern recognition method based on the PLSDA algorithm by NIR and the NIR-MIR fusion spectra has been established to identify geoherbalism of Angelica dahurica from different regions and authenticity of Corydalis yanhusuo W. T. Wang. Comparing principle component analysis (PCA) cannot successfully identify geographical origins of Angelica dahurica. Linear discriminant analysis (LDA) also hardly distinguishes those origins. Furthermore, the PLSDA model based on the data fusion of NIR and IR was more accurate and efficient. But, the identification of authenticity of Corydalis yanhusuo W. T. Wang was still inaccurate in the PLSDA model. Consequently, data fusion of NIR-MIR original spectra combined with moving window partial least-squares discriminant analysis was firstly used and showed perfect properties on authenticity and adulteration discrimination of Corydalis yanhusuo W. T. Wang. It indicated that data fusion of NIR-MIR spectra combined with MWPLSDA could be considered as the promising tool for rapid discrimination of the geoherbalism and authenticity of more Chinese herbs in the future.

Classification of freshwater fish species by linear discriminant analysis based on near infrared reflectance spectroscopy

2017 ◽  
Vol 25 (1) ◽  
pp. 54-62 ◽  
Author(s):  
Hao Lv ◽  
Wenjie Xu ◽  
Juan You ◽  
Shanbai Xiong
Keyword(s):  
Discriminant Analysis ◽  
Linear Discriminant Analysis ◽  
Freshwater Fish ◽  
Near Infrared ◽  
Reflectance Spectroscopy ◽  
Infrared Reflectance ◽  
Near Infrared Reflectance Spectroscopy ◽  
Near Infrared Reflectance ◽  
Linear Discriminant ◽  
Infrared Reflectance Spectroscopy

Near infrared reflectance spectroscopy was used to discriminate different species of freshwater fish samples. Samples from seven freshwater fish species of the family Cyprinidae (black carp ( Mylopharyngodon piceus), grass carp ( Ctenopharyngodon idellus), silver carp ( Hypophthalmichthys molitrix), bighead carp ( Aristichthys nobilis), common carp ( Cyprinus carpio), crucian ( Carassius auratus), and bream ( Parabramis pekinensis)) were scanned by near infrared reflectance spectroscopy from 1000 nm to 1799 nm. Linear discriminant analysis models were built for the classification of species. We inspected the effect of partial least square, principal component analysis, competitive adaptive reweighted sampling, and fast Fourier transform on linear discriminant analysis. The results showed that the dimension reduction methods worked very well for this example. Linear discriminant analysis models which were combined with principal component analysis and fast Fourier transform could classify accurately all the samples under multiplicative scatter correction pre-processing. According to the loadings in principal component analysis, spectra wavelengths 1000, 1001, 1154, 1208, 1284, 1288, 1497, 1665, and 1770 nm were selected as effective wavelengths in linear discriminant analysis. The discriminant analysis was simplified by using effective wavelengths as independent variables in a linear discriminant analysis model. This study indicated that linear discriminant analysis combined with near infrared reflectance spectroscopy could be an effective strategy for the classification of freshwater fish species.

Portable vibrational spectroscopic methods can discriminate between grass-fed and grain-fed beef

2021 ◽  
pp. 096703352110495
Author(s):  
Cassius EO Coombs ◽  
Robert R Liddle ◽  
Luciano A González
Keyword(s):  
Discriminant Analysis ◽  
Near Infrared ◽  
Prediction Models ◽  
Nir Spectroscopy ◽  
Consumer Confidence ◽  
Spectroscopic Methods ◽  
Marbling Score ◽  
Near Infrared Reflectance ◽  
Linear Discriminant ◽  
Beef Steak

The present study analysed the ability for portable near infrared reflectance (NIR) and Raman spectroscopy sensors to differentiate between grass-fed and grain-fed beef. Scans were made on lean and fat surfaces of 108 beef steak samples labelled as grass-fed ( n = 54) and grain-fed ( n = 54), with partial least squares discriminant analysis (PLS-DA) and linear discriminant analysis (LDA) used to develop discrimination models which were tested on independent datasets. Furthermore, PLS-DA was used to predict visual marbling score and days on feed (DOF). The NIR spectra accurately discriminated between grass- and grain-fed beef on both fat (91.7%, n = 92) and lean (88.5%, n = 96), as did Raman (fat 95.2%, n = 82; lean 69.6%, n = 68). Fat scanning using NIR spectroscopy moderately predicted DOF (r2val = 0.53), though Raman and NIR spectroscopy lean prediction models for DOF and marbling were less precise (r2val < 0.50). It can be concluded that portable NIR and Raman spectrometers can be used successfully to differentiate grass-fed from grain-fed beef and therefore aid retail and consumer confidence.

scholarly journals Near-infrared spectroscopy is feasible to discriminate hazelnut cultivars

2013 ◽  
Vol 44 (2s) ◽  
Author(s):  
Elisabetta Stella ◽  
Roberto Moscetti ◽  
Letizia Carletti ◽  
Giuseppina Menghini ◽  
Francesco Fabrizi ◽  
...  
Keyword(s):  
Amino Acids ◽  
Discriminant Analysis ◽  
Diffuse Reflectance ◽  
Near Infrared ◽  
Functional Group ◽  
Nir Spectroscopy ◽  
Linear Discriminant ◽  
Minimum Error ◽  
Small Set ◽  
Nm Range

The study demonstrated the feasibility of the near infrared (NIR) spectroscopy use for hazelnut-cultivar sorting. Hazelnut spectra were acquired from 600 fruit for each cultivar sample, two diffuse reflectance spectra were acquired from opposite sides of the same hazelnut. Spectral data were transformed into absorbance before the computations. A different variety of spectral pretreatments were applied to extract characteristics for the classification. An iterative Linear Discriminant Analysis (LDA) algorithm was used to select a relatively small set of variables to correctly classify samples. The optimal group of features selected for each test was analyzed using Partial Least Squares Discriminant Analysis (PLS-DA). The spectral region most frequently chosen was the 1980-2060 nm range, which corresponds to best differentiation performance for a total minimum error rate lower than 1.00%. This wavelength range is generally associated with stretching and bending of the N-H functional group of amino acids and proteins. The feasibility of using NIR Spectroscopy to distinguish different hazelnut cultivars was demonstrated.

scholarly journals Near-infrared auto-fluorescence spectroscopy combining with Fisher’s linear discriminant analysis improves intraoperative real-time identification of normal parathyroid in thyroidectomy

BMC Surgery ◽  
2020 ◽  
Vol 20 (1) ◽  
Author(s):  
Junsong Liu ◽  
Xiaoxia Wang ◽  
Rui Wang ◽  
Chongwen Xu ◽  
Ruimin Zhao ◽  
...  
Keyword(s):  
Discriminant Analysis ◽  
Fluorescence Spectroscopy ◽  
Linear Discriminant Analysis ◽  
Real Time ◽  
Parathyroid Gland ◽  
Near Infrared ◽  
Parathyroid Glands ◽  
Linear Discriminant ◽  
Auto Fluorescence ◽  
Fisher’S Linear Discriminant

Abstract Background To evaluate the efficacy of a sensitive, real-time tool for identification and protection for parathyroid glands during thyroidectomy. Methods Near-infrared (NIR) auto-fluorescence was measured intraoperatively from 20 patients undergoing thyroidectomy. Spectra were measured from suspicious parathyroid glands and surrounding neck tissues during the operation with a NIR fluorescence system. Fast frozen sections were performed on the suspicious parathyroid glands. Accuracy was evaluated by comparison with histology and NIR identification. Data were attracted for Fisher’s linear discriminant analysis. Results The auto-fluorescence intensity of parathyroid was significantly higher than that of thyroid, fat and lymph node. The peak intensity of auto-fluorescence from parathyroid was 5.55 times of that from thyroid at the corresponding wave number. Of the 20 patients, the parathyroid was accurately detected and identified in 19 patients by NIR system, compared with their histologic results. One suspicious parathyroid did not exhibit typical spectra, and was proved to be fat tissue by histology. The NIR auto-fluorescence method had a 100% sensitivity of parathyroid glands identification and a high accuracy of 95%. The positive predictive value was 95%. The parathyroid gland have specific auto-fluorescence spectrum and can be separated from the other three samples through the Fisher’s linear discriminant analysis. Conclusions NIR auto-fluorescence spectroscopy can accurately identify normal parathyroid gland during thyroidectomy. The Fisher’s linear discriminant analysis demonstrated the specificity of the NIR auto-fluorescence of parathyroid tissue and its efficacy in parathyroid discrimination.

scholarly journals Near-infrared spectroscopy is feasible to discriminate hazelnut cultivars

2013 ◽  
Vol 44 (2s) ◽  
Author(s):  
Elisabetta Stella ◽  
Roberto Moscetti ◽  
Letizia Carletti ◽  
Giuseppina Menghini ◽  
Francesco Fabrizi ◽  
...  
Keyword(s):  
Amino Acids ◽  
Discriminant Analysis ◽  
Diffuse Reflectance ◽  
Near Infrared ◽  
Functional Group ◽  
Nir Spectroscopy ◽  
Linear Discriminant ◽  
Minimum Error ◽  
Small Set ◽  
Nm Range

The study demonstrated the feasibility of the near infrared (NIR) spectroscopy use for hazelnut-cultivar sorting. Hazelnut spectra were acquired from 600 fruit for each cultivar sample, two diffuse reflectance spectra were acquired from opposite sides of the same hazelnut. Spectral data were transformed into absorbance before the computations. A different variety of spectral pretreatments were applied to extract characteristics for the classification. An iterative Linear Discriminant Analysis (LDA) algorithm was used to select a relatively small set of variables to correctly classify samples. The optimal group of features selected for each test was analyzed using Partial Least Squares Discriminant Analysis (PLS-DA). The spectral region most frequently chosen was the 1980-2060 nm range, which corresponds to best differentiation performance for a total minimum error rate lower than 1.00%. This wavelength range is generally associated with stretching and bending of the N-H functional group of amino acids and proteins. The feasibility of using NIR Spectroscopy to distinguish different hazelnut cultivars was demonstrated.

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.

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