scholarly journals Near-Infrared Spectroscopy Applied to the Detection of Multiple Adulterants in Roasted and Ground Arabica Coffee

Foods ◽  
2021 ◽  
Vol 11 (1) ◽  
pp. 61
Author(s):  
Cinthia de Carvalho Couto ◽  
Otniel Freitas-Silva ◽  
Edna Maria Morais Oliveira ◽  
Clara Sousa ◽  
Susana Casal

Roasted coffee has been the target of increasingly complex adulterations. Sensitive, non-destructive, rapid and multicomponent techniques for their detection are sought after. This work proposes the detection of several common adulterants (corn, barley, soybean, rice, coffee husks and robusta coffee) in roasted ground arabica coffee (from different geographic regions), combining near-infrared (NIR) spectroscopy and chemometrics (Principal Component Analysis—PCA). Adulterated samples were composed of one to six adulterants, ranging from 0.25 to 80% (w/w). The results showed that NIR spectroscopy was able to discriminate pure arabica coffee samples from adulterated ones (for all the concentrations tested), including robusta coffees or coffee husks, and independently of being single or multiple adulterations. The identification of the adulterant in the sample was only feasible for single or double adulterations and in concentrations ≥10%. NIR spectroscopy also showed potential for the geographical discrimination of arabica coffees (South and Central America).

Foods ◽  
2020 ◽  
Vol 9 (4) ◽  
pp. 441 ◽  
Author(s):  
Manuela Mancini ◽  
Luca Mazzoni ◽  
Francesco Gagliardi ◽  
Francesca Balducci ◽  
Daniele Duca ◽  
...  

The determination of strawberry fruit quality through the traditional destructive lab techniques has some limitations related to the amplitude of the samples, the timing and the applicability along all phases of the supply chain. The aim of this study was to determine the main qualitative characteristics through traditional lab destructive techniques and Near Infrared Spectroscopy (NIR) in fruits of five strawberry genotypes. Principal Component Analysis (PCA) was applied to search for spectral differences among all the collected samples. A Partial Least Squares regression (PLS) technique was computed in order to predict the quality parameters of interest. The PLS model for the soluble solids content prediction was the best performing—in fact, it is a robust and reliable model and the validation values suggested possibilities for its use in quality applications. A suitable PLS model is also obtained for the firmness prediction—the validation values tend to worsen slightly but can still be accepted in screening applications. NIR spectroscopy represents an important alternative to destructive techniques, using the infrared region of the electromagnetic spectrum to investigate in a non-destructive way the chemical–physical properties of the samples, finding remarkable applications in the agro-food market.


2020 ◽  
Vol 12 (7) ◽  
pp. 105
Author(s):  
Francisco S. Panero ◽  
Pedro S. Panero ◽  
João S. Panero ◽  
Fernando S. E. D. V. Faria ◽  
Anselmo F. R. Rodriguez

Rice is one of the most consumed cereals in the world. Currently, techniques for the authentication and geographical origin of rice is known not to be objective because to depend on the naked eye of a well-trained inspector. DNA fingerprint methods have been shown to be inappropriate for on-site application because the method needs a lot of labor and skilled expertise. Rice consumers want to confirm cultivation origin because they believe price or eating score has a high correlation according to them. Considering rice as a raw material of economic and social value and the recent use of NIR spectroscopy coupled with chemometric methods to authentication and discrimination of geographical origin as an alternative to classical methods in the search for a methodology in line with Green Chemistry, this work investigates the potential of NIR spectroscopy combined with multivariate analysis: PCA (Principal Component Analysis) and HCA (Hierarchical Cluster Analysis) for rapid and non-destructive forensic authentication of rice grains from Brazil and Venezuela. This study investigated the potential of near-infrared spectroscopy, combined with PCA and HCA chemometric technique to the authenticity of rice. It was verified that is feasible and advantageous to implement authenticity detection of different brands, typology and geographical discrimination (Brazil and Venezuela) rice.


2019 ◽  
Vol 4 (1) ◽  
pp. 89-95 ◽  
Author(s):  
Kusumiyati Kusumiyati ◽  
Yuda Hadiwijaya ◽  
Ine Elisa Putri

Fruits are one of the sources of nutrition needed for health. Fruit quality is generally assessed by physical and chemical properties. Measurement of fruit internal quality is usually done by destructive techniques. Ultraviolet, visible and near-infrared (UV-Vis-NIR) spec-troscopy is a non-destructive technique to measure fruit quality. This technique can rapidly measure the fruit quality, the measured fruit still remains intact, and can be marketed. Besides, UV-Vis-NIR spectrosco-py can also be used to classify fruits. The study aimed to classify var-ious types of fruits using UV-Vis-NIR spectroscopy with wavelengths of 300-1041 nm and Principal Component Analysis (PCA). First de-rivative savitzky-golay with 9 smoothing points (dg1) and multiplica-tive scatter correction (MSC) were applied to correct the spectra. The results showed that the use of uv-vis-nir spectroscopy and PCA com-bined with spectra pre-treatment of the MSC method were able to clas-sify various types of fruits with 100% success rate in all fruit samples including sapodilla, ridge gourd, mango, guava, apple and zucchini. 


2021 ◽  
Vol 13 (19) ◽  
pp. 10747
Author(s):  
Khadija Najjar ◽  
Nawaf Abu-Khalaf

The non-destructive visible/near-infrared (VIS/NIR) spectroscopy is a promising technique in determining the quality of agricultural commodities. Therefore, this study aimed to examine the ability of VIS/NIR spectroscopy (550–1100 nm) to distinguish between three different varieties of tomato (i.e., Ekram, Harver and Izmer), as well as to predict the quality parameters of tomato, such as soluble solids content (SSC), titratable acidity (TA), taste (SSC/TA) and firmness. Ninety intact samples from three tomato varieties were used. These samples were examined using VIS/NIR spectroscopy and quality parameters were also measured using traditional methods. Principal component analysis (PCA) and partial least square (PLS) were carried out. The results of PCA showed the ability of VIS/NIR spectroscopy to distinguish between the three varieties, where two PCs explained about 99% of the total variance in both calibration and validation sets. Moreover, PLS showed the possibility of modelling quality parameters. The correlation coefficient (R2) and the ratio of performance deviation (RPD) for all quality parameters (except for firmness) were found to be higher than 0.85 and 2.5, respectively. Thus, these results indicate that the VIS/NIR spectroscopy can be used to discriminate between different varieties of tomato and predict their quality parameters.


Processes ◽  
2021 ◽  
Vol 9 (2) ◽  
pp. 196
Author(s):  
Araz Soltani Nazarloo ◽  
Vali Rasooli Sharabiani ◽  
Yousef Abbaspour Gilandeh ◽  
Ebrahim Taghinezhad ◽  
Mariusz Szymanek ◽  
...  

The purpose of this work was to investigate the detection of the pesticide residual (profenofos) in tomatoes by using visible/near-infrared spectroscopy. Therefore, the experiments were performed on 180 tomato samples with different percentages of profenofos pesticide (higher and lower values than the maximum residual limit (MRL)) as compared to the control (no pesticide). VIS/near infrared (NIR) spectral data from pesticide solution and non-pesticide tomato samples (used as control treatment) impregnated with different concentrations of pesticide in the range of 400 to 1050 nm were recorded by a spectrometer. For classification of tomatoes with pesticide content at lower and higher levels of MRL as healthy and unhealthy samples, we used different spectral pre-processing methods with partial least squares discriminant analysis (PLS-DA) models. The Smoothing Moving Average pre-processing method with the standard error of cross validation (SECV) = 4.2767 was selected as the best model for this study. In addition, in the calibration and prediction sets, the percentages of total correctly classified samples were 90 and 91.66%, respectively. Therefore, it can be concluded that reflective spectroscopy (VIS/NIR) can be used as a non-destructive, low-cost, and rapid technique to control the health of tomatoes impregnated with profenofos pesticide.


2020 ◽  
Vol 13 (1) ◽  
Author(s):  
Elise A. Kho ◽  
Jill N. Fernandes ◽  
Andrew C. Kotze ◽  
Glen P. Fox ◽  
Maggy T. Sikulu-Lord ◽  
...  

Abstract Background Existing diagnostic methods for the parasitic gastrointestinal nematode, Haemonchus contortus, are time consuming and require specialised expertise, limiting their utility in the field. A practical, on-farm diagnostic tool could facilitate timely treatment decisions, thereby preventing losses in production and flock welfare. We previously demonstrated the ability of visible–near-infrared (Vis–NIR) spectroscopy to detect and quantify blood in sheep faeces with high accuracy. Here we report our investigation of whether variation in sheep type and environment affect the prediction accuracy of Vis–NIR spectroscopy in quantifying blood in faeces. Methods Visible–NIR spectra were obtained from worm-free sheep faeces collected from different environments and sheep types in South Australia (SA) and New South Wales, Australia and spiked with various sheep blood concentrations. Spectra were analysed using principal component analysis (PCA), and calibration models were built around the haemoglobin (Hb) wavelength region (387–609 nm) using partial least squares regression. Models were used to predict Hb concentrations in spiked faeces from SA and naturally infected sheep faeces from Queensland (QLD). Samples from QLD were quantified using Hemastix® test strip and FAMACHA© diagnostic test scores. Results Principal component analysis showed that location, class of sheep and pooled versus individual samples were factors affecting the Hb predictions. The models successfully differentiated ‘healthy’ SA samples from those requiring anthelmintic treatment with moderate to good prediction accuracy (sensitivity 57–94%, specificity 44–79%). The models were not predictive for blood in the naturally infected QLD samples, which may be due in part to variability of faecal background and blood chemistry between samples, or the difference in validation methods used for blood quantification. PCA of the QLD samples, however, identified a difference between samples containing high and low quantities of blood. Conclusion This study demonstrates the potential of Vis–NIR spectroscopy for estimating blood concentration in faeces from various types of sheep and environmental backgrounds. However, the calibration models developed here did not capture sufficient environmental variation to accurately predict Hb in faeces collected from environments different to those used in the calibration model. Consequently, it will be necessary to establish models that incorporate samples that are more representative of areas where H. contortus is endemic.


2015 ◽  
Vol 2015 ◽  
pp. 1-8 ◽  
Author(s):  
Hui Chen ◽  
Zan Lin ◽  
Chao Tan

Near-infrared (NIR) spectroscopy technique offers many potential advantages as tool for biomedical analysis since it enables the subtle biochemical signatures related to pathology to be detected and extracted. In conjunction with advanced chemometrics, NIR spectroscopy opens the possibility of their use in cancer diagnosis. The study focuses on the application of near-infrared (NIR) spectroscopy and classification models for discriminating colorectal cancer. A total of 107 surgical specimens and a corresponding NIR diffuse reflection spectral dataset were prepared. Three preprocessing methods were attempted and least-squares support vector machine (LS-SVM) was used to build a classification model. The hybrid preprocessing of first derivative and principal component analysis (PCA) resulted in the best LS-SVM model with the sensitivity and specificity of 0.96 and 0.96 for the training and 0.94 and 0.96 for test sets, respectively. The similarity performance on both subsets indicated that overfitting did not occur, assuring the robustness and reliability of the developed LS-SVM model. The area of receiver operating characteristic (ROC) curve was 0.99, demonstrating once again the high prediction power of the model. The result confirms the applicability of the combination of NIR spectroscopy, LS-SVM, PCA, and first derivative preprocessing for cancer diagnosis.


2021 ◽  
pp. 096703352098731
Author(s):  
Adenilton C da Silva ◽  
Lívia PD Ribeiro ◽  
Ruth MB Vidal ◽  
Wladiana O Matos ◽  
Gisele S Lopes

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.


2018 ◽  
Vol 10 (4) ◽  
pp. 351
Author(s):  
João S. Panero ◽  
Henrique E. B. da Silva ◽  
Pedro S. Panero ◽  
Oscar J. Smiderle ◽  
Francisco S. Panero ◽  
...  

Near Infrared (NIR) Spectroscopy technique combined with chemometrics methods were used to group and identify samples of different soy cultivars. Spectral data, collected in the range of 714 to 2500 nm (14000 to 4000 cm-1), were obtained from whole grains of four different soybean cultivars and were submitted to different types of pre-treatments. Chemometrics algorithms were applied to extract relevant information from the spectral data, to remove the anomalous samples and to group the samples. The best results were obtained considering the spectral range from 1900.6 to 2187.7 nm (5261.4 cm-1 to 4570.9 cm-1) and with spectral treatment using Multiplicative Signal Correction (MSC) + Baseline Correct (linear fit), what made it possible to the exploratory techniques Principal Component Analysis (PCA) and Hierarchical Cluster Analysis (HCA) to separate the cultivars. Thus, the results demonstrate that NIR spectroscopy allied with de chemometrics techniques can provide a rapid, nondestructive and reliable method to distinguish different cultivars of soybeans.


1996 ◽  
Vol 50 (12) ◽  
pp. 1541-1544 ◽  
Author(s):  
Hans-René Bjørsvik

A method of combining spectroscopy and multivariate data analysis for obtaining quantitative information on how a reaction proceeds is presented. The method is an approach for the explorative synthetic organic laboratory rather than the analytical chemistry laboratory. The method implements near-infrared spectroscopy with an optical fiber transreflectance probe as instrumentation. The data analysis consists of decomposition of the spectral data, which are recorded during the course of a reaction by using principal component analysis to obtain latent variables, scores, and loading. From the scores and the corresponding reaction time, it is possible to obtain a reaction profile. This reaction profile can easily be recalculated to obtain the concentration profile over time. This calculation is based on only two quantitative measurements, which can be (1) measurement from the work-up of the reaction or (2) chromatographic analysis from two withdrawn samples during the reaction. The method is applied to the synthesis of 3-amino-propan-1,2-diol.


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