Detection of Aspartic Acid in Fermented Cordyceps Powder Using Near Infrared Spectroscopy Based on Variable Selection Algorithms and Multivariate Calibration Methods

2013 ◽  
Vol 7 (2) ◽  
pp. 598-604 ◽  
Author(s):  
Chu Zhang ◽  
Ning Xu ◽  
Liubin Luo ◽  
Fei Liu ◽  
Wenwen Kong ◽  
...  
2019 ◽  
Vol 15 (3-4) ◽  
Author(s):  
Muhammad Arslan ◽  
Zou Xiaobo ◽  
Haroon Elrasheid Tahir ◽  
Hu Xuetao ◽  
Allah Rakha ◽  
...  

AbstractIn this work, near-infrared spectroscopy coupled the classical PLS and variable selection algorithms; synergy interval-PLS, backward interval-PLS and genetic algorithm-PLS for rapid measurement of the antioxidant activity of Chinese dates. The chemometric analysis of antioxidant activity assays was performed. The built models were investigated using correlation coefficients of calibration and prediction; root mean square error of prediction, root mean square error of cross-validation and residual predictive deviation (RPD). The correlation coefficient for calibration and prediction sets and RPD values ranged from 0.8503 to 0.9897, 0.8463 to 0.9783 and 1.86 to 4.88, respectively. In addition, variable selection algorithms based on efficient information extracted from acquired spectra were superior to classical PLS. The overall results revealed that near-infrared spectroscopy combined with chemometric algorithms could be used for rapid quantification of antioxidant content in Chinese dates samples.


1989 ◽  
Vol 43 (8) ◽  
pp. 1435-1443 ◽  
Author(s):  
Charles E. Miller

Near-infrared spectroscopy in the combination, first overtone, and second overtone regions is combined with the multivariate methods of Partial-Least-Squares (PLS) and Classical-Least-Squares (CLS) to provide calibrations for chemical components in ethylene-propylene-diene monomer (EPDM) terpolymers. EPDM samples with 1,4-hexadiene (HD) and ethylidene norbornene (ENB) diene monomers were used for this study. Because unknown interaction effects are present in the spectra of these materials, the PLS calibration method gives more accurate calibrations than the CLS method. PLS coefficient spectra and CLS reconstructed spectra obtained from the calibrations are used to determine the sources of the unknown spectral effects. Results indicate that the combination, first overtone, and second overtone regions of the spectrum can be used to determine ethylene and propylene concentrations in the terpolymers, and the combination region can be used to determine diene concentrations. The presence of intrachain and interchain interactions in the terpolymers is indicated by observation of CLS reconstructed spectra.


2014 ◽  
Vol 6 (20) ◽  
pp. 8299-8305 ◽  
Author(s):  
Caren Machado Menezes ◽  
Adilson Ben da Costa ◽  
Ricardo Rocha Renner ◽  
Lucas Ferreira Bastos ◽  
Marco Flôres Ferrão ◽  
...  

This study investigated the application of near-infrared spectroscopy (NIRS) and multivariate calibration methods to the direct determination of the tannin content inAcacia mearnsiibark to improve control during the tannin extraction process.


Energies ◽  
2021 ◽  
Vol 14 (5) ◽  
pp. 1460
Author(s):  
Jinming Liu ◽  
Changhao Zeng ◽  
Na Wang ◽  
Jianfei Shi ◽  
Bo Zhang ◽  
...  

Biochemical methane potential (BMP) of anaerobic co-digestion (co-AD) feedstocks is an essential basis for optimizing ratios of materials. Given the time-consuming shortage of conventional BMP tests, a rapid estimated method was proposed for BMP of co-AD—with straw and feces as feedstocks—based on near infrared spectroscopy (NIRS) combined with chemometrics. Partial least squares with several variable selection algorithms were used for establishing calibration models. Variable selection methods were constructed by the genetic simulated annealing algorithm (GSA) combined with interval partial least squares (iPLS), synergy iPLS, backward iPLS, and competitive adaptive reweighted sampling (CARS), respectively. By comparing the modeling performances of characteristic wavelengths selected by different algorithms, it was found that the model constructed using 57 characteristic wavelengths selected by CARS-GSA had the best prediction accuracy. For the validation set, the determination coefficient, root mean square error and relative root mean square error of the CARS-GSA model were 0.984, 6.293 and 2.600, respectively. The result shows that the NIRS regression model—constructed with characteristic wavelengths, selected by CARS-GSA—can meet actual detection requirements. Based on a large number of samples collected, the method proposed in this study can realize the rapid and accurate determination of the BMP for co-AD raw materials in biogas engineering.


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