Quantitative Evaluation of Glycyrrhizic Acid That Affects the Product Quality of Kakkonto Extract, a Traditional Herbal Medicine, by a Chemometric near Infrared Spectroscopic Method

2009 ◽  
Vol 17 (2) ◽  
pp. 89-100 ◽  
Author(s):  
Yoshifumi Mohri ◽  
Yukoh Sakata ◽  
Makoto Otsuka
Keyword(s):  
Acid Content ◽  
Glycyrrhizic Acid ◽  
Near Infrared ◽  
Spectroscopic Method ◽  
Nir Spectroscopy ◽  
Partial Least Square ◽  
Least Square ◽  
Wave Number ◽  
Coefficient Of Determination ◽  
Calibration Model

The purpose of this study was to construct a calibration model for the prediction of glycyrrhizic acid content in Kakkonto extracts using near infrared (NIR) spectroscopy. The NIR spectra of the Kakkonto extracts were obtained using a Fourier transform NIR spectrometer in transmission mode and chemometric analysis was performed using partial least-square (PLS) regression. The calibration model was constructed by the selection of wave number regions and by the first derivative pre-treatment of NIR spectra. The glycyrrhizic acid content could be predicted using a calibration model comprising three principal components (PCs) obtained by the PLS method. The calibration model was theoretically analysed by investigating the standard error of prediction values, the loading vectors of each PC and the regression vector. The relationship between the actual and predicted glycyrrhizic acid contents in the Kakkonto extract exhibited a straight line with a coefficient of determination of 0.966 (calibration) and 0.945 (validation), respectively. The predicted glycyrrhizic acid content in the Kakkonto extract was within the 95% predictive intervals.

scholarly journals Histamine Control in Raw and Processed Tuna: A Rapid Tool Based on NIR Spectroscopy

Foods ◽  
2021 ◽  
Vol 10 (4) ◽  
pp. 885
Author(s):  
Sergio Ghidini ◽  
Luca Maria Chiesa ◽  
Sara Panseri ◽  
Maria Olga Varrà ◽  
Adriana Ianieri ◽  
...  
Keyword(s):  
Root Mean Square ◽  
Near Infrared ◽  
Nir Spectroscopy ◽  
Partial Least Square ◽  
Least Square ◽  
Partial Least Square Regression ◽  
Coefficient Of Determination ◽  
Mean Square ◽  
Tuna Fish ◽  
Mean Square Errors

The present study was designed to investigate whether near infrared (NIR) spectroscopy with minimal sample processing could be a suitable technique to rapidly measure histamine levels in raw and processed tuna fish. Calibration models based on orthogonal partial least square regression (OPLSR) were built to predict histamine in the range 10–1000 mg kg−1 using the 1000–2500 nm NIR spectra of artificially-contaminated fish. The two models were then validated using a new set of naturally contaminated samples in which histamine content was determined by conventional high-performance liquid chromatography (HPLC) analysis. As for calibration results, coefficient of determination (r2) > 0.98, root mean square of estimation (RMSEE) ≤ 5 mg kg−1 and root mean square of cross-validation (RMSECV) ≤ 6 mg kg−1 were achieved. Both models were optimal also in the validation stage, showing r2 values > 0.97, root mean square errors of prediction (RMSEP) ≤ 10 mg kg−1 and relative range error (RER) ≥ 25, with better results showed by the model for processed fish. The promising results achieved suggest NIR spectroscopy as an implemental analytical solution in fish industries and markets to effectively determine histamine amounts.

Hyperspectral Imaging for Predicting Soluble Solid Content of Starfruit

2015 ◽  
Vol 73 (1) ◽  
Author(s):  
Feri Candra ◽  
Syed Abd. Rahman Abu Bakar
Keyword(s):  
Hyperspectral Imaging ◽  
Near Infrared ◽  
Imaging System ◽  
Solid Content ◽  
Partial Least Square ◽  
Least Square ◽  
Coefficient Of Determination ◽  
Soluble Solid Content ◽  
Calibration Model ◽  
Soluble Solid

Hyperspectral imaging technology is a powerful tool for non-destructive quality assessment of fruits. The objective of this research was to develop novel calibration model based on hyperspectral imaging to estimate soluble solid content (SSC) of starfruits. A hyperspectral imaging system, which consists of a near infrared  camera, a spectrograph V10, a halogen lighting and a conveyor belt system, was used in this study to acquire hyperspectral  images of the samples in visible and near infrared (500-1000 nm) regions. Partial least square (PLS) was used to build the model and to find the optimal wavelength. Two different masks were applied for obtaining the spectral data. The optimal wavelengths were evaluated using multi linear regression (MLR). The coefficient of determination (R2) for validation using the model with first mask (M1) and second mask (M2) were 0.82 and 0.80, respectively.

scholarly journals Monitoring of CO2 Absorption Solvent in Natural Gas Process Using Fourier Transform Near-Infrared Spectrometry

2020 ◽  
Vol 2020 ◽  
pp. 1-9
Author(s):  
Mohd Yusop Nurida ◽  
Dolmat Norfadilah ◽  
Mohd Rozaiddin Siti Aishah ◽  
Chan Zhe Phak ◽  
Syafiqa M. Saleh
Keyword(s):  
Fourier Transform ◽  
Near Infrared ◽  
Nir Spectroscopy ◽  
Partial Least Square ◽  
Least Square ◽  
Infrared Spectrometry ◽  
Calibration Model ◽  
Co2 Absorption ◽  
Processing Unit

The analytical methods for the determination of the amine solvent properties do not provide input data for real-time process control and optimization and are labor-intensive, time-consuming, and impractical for studies of dynamic changes in a process. In this study, the potential of nondestructive determination of amine concentration, CO2 loading, and water content in CO2 absorption solvent in the gas processing unit was investigated through Fourier transform near-infrared (FT-NIR) spectroscopy that has the ability to readily carry out multicomponent analysis in association with multivariate analysis methods. The FT-NIR spectra for the solvent were captured and interpreted by using suitable spectra wavenumber regions through multivariate statistical techniques such as partial least square (PLS). The calibration model developed for amine determination had the highest coefficient of determination (R2) of 0.9955 and RMSECV of 0.75%. CO2 calibration model achieved R2 of 0.9902 with RMSECV of 0.25% whereas the water calibration model had R2 of 0.9915 with RMSECV of 1.02%. The statistical evaluation of the validation samples also confirmed that the difference between the actual value and the predicted value from the calibration model was not significantly different and acceptable. Therefore, the amine, CO2, and water models have given a satisfactory result for the concentration determination using the FT-NIR technique. The results of this study indicated that FT-NIR spectroscopy with chemometrics and multivariate technique can be used for the CO2 solvent monitoring to replace the time-consuming and labor-intensive conventional methods.

Nondestructive NIR Reflectance Spectroscopic Method for Rapid Fatty Acid Analysis of Peanut Seeds

2011 ◽  
Vol 38 (2) ◽  
pp. 85-92 ◽  
Author(s):  
Jaya Sundaram ◽  
Chari V. Kandala ◽  
Christopher L. Butts ◽  
Charles Y. Chen ◽  
Victor Sobolev
Keyword(s):  
Fatty Acids ◽  
Fatty Acid ◽  
Near Infrared ◽  
Methyl Esters ◽  
Spectroscopic Method ◽  
Nondestructive Method ◽  
Partial Least Square ◽  
Least Square ◽  
Coefficient Of Determination ◽  
Near Infrared Reflectance

ABSTRACT Near Infrared Reflectance Spectroscopy (NIRS) was used to rapidly and nondestructively analyze the fatty acid concentration present in peanut seeds samples. Absorbance spectra were collected in the wavelength range from 400 nm to 2500 nm using NIRS. The oleic, linoleic and palmitic fatty acids were converted to their corresponding methyl esters and their concentrations were measured using a gas chromatograph (GC). Partial least square (PLS) analysis was performed on a calibration set, and models were developed for prediction of fatty acid concentrations. The best model was selected based on the coefficient of determination (R2), Root Mean Square Error of Prediction, residual percent deviation (RPD) and correlation coefficient percentage between the gas chromatography measured values and the NIR predicted values. The NIR reflectance model developed yielded RPD values of three and above for prediction of the three fatty acids, indicating that this nondestructive method would be suitable for fatty acid predictions in peanut seeds.

scholarly journals Mechanical properties of wood materials using near-infrared spectroscopy based on correlation local embedding and partial least-squares

2019 ◽  
Vol 31 (3) ◽  
pp. 1053-1060 ◽  
Author(s):  
Lei Yu ◽  
Yuliang Liang ◽  
Yizhuo Zhang ◽  
Jun Cao
Keyword(s):  
Mechanical Properties ◽  
Near Infrared ◽  
Nir Spectroscopy ◽  
Partial Least Square ◽  
Least Square ◽  
Coefficient Of Determination ◽  
Tangential Surface ◽  
Prediction Coefficient ◽  
Validation Set ◽  
Mongolian Oak

Abstract This study used near-infrared (NIR) spectroscopy to predict mechanical properties of wood. NIR spectra were collected in wavelengths 900–1700 nm, and spectra averaged by radial and tangential surface spectra were used to establish a partial least square (PLS) model based on correlation local embedding (CLE). Mongolian oak (Quercus mongolica Fisch. ex Ledeb.) was used to test the effectiveness of the model. The cross-validation method was used to verify the robustness of the CLE–PLS model. Ninety samples were tested as the calibration set and forty-five as the validation set. The results show that the prediction coefficient of determination ($$R_{p}^{2}$$Rp2) is 0.80 for MOR, and 0.78 for MOE. The ratio of performance to deviation is 2.23 for MOR and 2.15 for MOE.

scholarly journals Determination of the Mechanical Properties of Rubber by FT-NIR

2016 ◽  
Vol 2016 ◽  
pp. 1-7 ◽  
Author(s):  
Rattapol Pornprasit ◽  
Philaiwan Pornprasit ◽  
Pruet Boonma ◽  
Juggapong Natwichai
Keyword(s):  
Mechanical Properties ◽  
Tensile Properties ◽  
Near Infrared ◽  
Nir Spectroscopy ◽  
Mechanical Tests ◽  
Partial Least Square ◽  
Least Square ◽  
Coefficient Of Determination ◽  
Styrene Butadiene Rubber ◽  
Butadiene Rubber

Mechanical tests, for example, tensile and hardness tests, are usually used to evaluate the properties of rubber materials. In this work, mechanical properties of selected rubber materials, that is, natural rubber (NR), styrene butadiene rubber (SBR), nitrile butadiene rubber (NBR), and ethylene propylene diene monomer (EPDM), were evaluated using a near infrared (NIR) spectroscopy technique. Here, NR/NBR and NR/EPDM blends were first prepared. All of the samples were then scanned using a FT-NIR spectrometer and fitted with an integration sphere working in a diffused reflectance mode. The spectra were correlated with hardness and tensile properties. Partial least square (PLS) calibration models were built from the spectra datasets with preprocessing techniques, that is, smoothing and second derivative. This indicated that reasonably accurate models, that is, with a coefficient of determination [R2] of the validation greater than 0.9, could be achieved for the hardness and tensile properties of rubber materials. This study demonstrated that FT-NIR analysis can be applied to determine hardness and tensile values in rubbers and rubber blends effectively.

scholarly journals Near Infrared (NIR) Spectroscopy to Predict Physical Properties of Acacia mangium at Three Different Age Classes

2017 ◽  
Vol 4 (1) ◽  
pp. 7-12
Author(s):  
Lina Karlinasari ◽  
Merry Sabed
Keyword(s):  
Moisture Content ◽  
Physical Properties ◽  
Wood Density ◽  
Near Infrared ◽  
Acacia Mangium ◽  
Nir Spectroscopy ◽  
Solid Wood ◽  
Partial Least Square ◽  
Least Square ◽  
Calibration Model

Near Infrared (NIR) spectroscopy has been used to predict several properties of wood. This is one of the nondestructive testing (NDT) methods providing fast and reliable wood characterization analysis which can be applied in various manufacture industry, included forest sector, in control and process monitoring task. Moisture content and wood density are important properties related to strength properties. The aim of this study was to evaluate NIR technique in obtaining calibration models for determining moisture content and wood density of Acacia mangium in the age of 5, 6, 7 years-old. Spectra were measured in both solid and ground wood samples. Laboratory testing of physical properties were determined by volumetric and gravimetric methods. The laboratory values were correlated with the NIR spectra using multivariate analysis statistic of Partial Least Square (PLS). The calibration-validation model of this relationship was evaluated by using the coefficient of determination (R2), root means square error of calibration (RMSEC) and cross-validation (RMSECV) values. Generally, a better accuracy was obtained by using calibration model of ground wood compared to that of solid wood samples. At age of 7 years-old, the R2 allowed the use of NIR spectra of solid samples to develop calibration and validation model, especially for wood density. Based on ratio of performance to deviation (RPD) and RMSE, ground samples demonstrated a higher value of RPD, RMSEC, and RMSECV compared to solid wood for all properties.

Prediction of internal compositions change in potato during storage using visible/near-infrared (Vis/NIR) spectroscopy

2020 ◽  
Vol 16 (4) ◽  
Author(s):  
Roya Farhadi ◽  
Amir H. Afkari-Sayyah ◽  
Bahareh Jamshidi ◽  
Ahmad Mousapour Gorji
Keyword(s):  
Moisture Content ◽  
Cold Storage ◽  
Near Infrared ◽  
Cross Validation ◽  
Nir Spectroscopy ◽  
Reducing Sugar ◽  
Partial Least Square ◽  
Least Square ◽  
Coefficient Of Determination ◽  
Reliable Technique

AbstractVisible/Near-infrared (Vis/NIR) spectroscopy at a range of 450–1000 nm was used to predict the values of three qualitative variables (starch, reducing sugar, and moisture content) on 200 potato tubers from 2 potato genotypes (‘Agria’ and ‘Clone 397009–8’) stored in both traditional and cold storages. After spectroscopy measurements, these variables were measured using reference methods. Then, Partial Least Square (PLS) models were developed. To evaluate developed models, Root Mean Square Error of calibration and cross validation (RMSEC and RMSECV), as well as coefficient of determination for calibration and cross validation (R2C and R2CV), and Residual Predictive Deviation (RPD) were used. The best prediction belonged to reducing sugar with statistical values of R2C = 0.99, R2CV = 0.98, RMSEC = 0.029, RMSECV = 0.037, and RPD = 7.57 in ‘Clone’ genotype stored under cold storage. The weakest prediction was related to moisture content with statistical values of R2C = 0.93, R2CV = 0.92, RMSEC = 0.268, RMSECV = 0.279, and RPD = 6.45 in stored ‘Clone’ genotypes under cold storage. Results of the study showed that, Vis/NIR spectroscopy as a non-destructive, fast, and reliable technique can be used for prediction of inner compositions of stored potatoes.

scholarly journals Evaluation of the moisture content of tapioca starch using near-infrared spectroscopy

2015 ◽  
Vol 08 (02) ◽  
pp. 1550014 ◽  
Author(s):  
Kittisak Phetpan ◽  
Panmanas Sirisomboon
Keyword(s):  
Moisture Content ◽  
Near Infrared ◽  
Partial Least Square ◽  
Least Square ◽  
Coefficient Of Determination ◽  
Calibration Model ◽  
Drying Process ◽  
Data Set ◽  
Prediction Ability ◽  
Tapioca Starch

The purpose of this study was to develop a calibration model to evaluate the moisture content of tapioca starch using the near-infrared (NIR) spectral data in conjunction with partial least square (PLS) regression. The prediction ability was assessed using a separate prediction data set. Three groups of tapioca starch samples were used in this study: tapioca starch cake, dried tapioca starch and combined tapioca starch. The optimum model obtained from the baseline-offset spectra of dried tapioca starch samples at the outlet of the factory drying process provided a coefficient of determination (R2), standard error of prediction (SEP), bias and residual prediction deviation (RPD) of 0.974, 0.16%, -0.092% and 7.4, respectively. The NIR spectroscopy protocol developed in this study could be a rapid method for evaluation of the moisture content of the tapioca starch in factory laboratories. It indicated the possibility of real-time online monitoring and control of the tapioca starch cake feeder in the drying process. In addition, it was determined that there was a stronger influence of the NIR absorption of both water and starch on the prediction of moisture content of the model.

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.

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