Unfolded partial least squares/residual bilinearization combined with the Successive Projections Algorithm for interval selection: enhanced excitation-emission fluorescence data modeling in the presence of the inner filter effect

2015 ◽  
Vol 407 (19) ◽  
pp. 5649-5659 ◽  
Author(s):  
Adriano de Araújo Gomes ◽  
Agustina V. Schenone ◽  
Héctor C. Goicoechea ◽  
Mario Cesar U. de Araújo
2014 ◽  
Vol 811 ◽  
pp. 13-22 ◽  
Author(s):  
Adriano de Araújo Gomes ◽  
Mirta Raquel Alcaraz ◽  
Hector C. Goicoechea ◽  
Mario Cesar U. Araújo

2016 ◽  
Vol 8 (41) ◽  
pp. 7522-7530 ◽  
Author(s):  
David Douglas de Sousa Fernandes ◽  
Valber Elias Almeida ◽  
Licarion Pinto ◽  
Germano Véras ◽  
Roberto Kawakami Harrop Galvão ◽  
...  

This paper proposes a new interval selection approach for PLS-DA modelling, which is developed as an extension of the recently introduced iSPA-PLS method for multivariate calibration.


Talanta ◽  
2018 ◽  
Vol 181 ◽  
pp. 38-43 ◽  
Author(s):  
Valber Elias de Almeida ◽  
Adriano de Araújo Gomes ◽  
David Douglas de Sousa Fernandes ◽  
Héctor Casimiro Goicoechea ◽  
Roberto Kawakami Harrop Galvão ◽  
...  

Analusis ◽  
2000 ◽  
Vol 28 (2) ◽  
pp. 148-154 ◽  
Author(s):  
A. Andrade-Eiroa ◽  
E. Vázquez-Blanco ◽  
P. López-Mahía ◽  
S. Muniategui-Lorenzo ◽  
D. Prada-Rodríguez

Author(s):  
Gabriela Krepper ◽  
Florencia Romeo ◽  
David Douglas de Sousa Fernandes ◽  
Paulo Henrique Gonçalves Dias Diniz ◽  
Mário César Ugulino de Araújo ◽  
...  

2019 ◽  
Vol 9 (24) ◽  
pp. 5336 ◽  
Author(s):  
Qi XIA ◽  
Lei-ming YUAN ◽  
Xiaojing CHEN ◽  
Liuwei MENG ◽  
Guangzao HUANG

Methanol gasoline blends are a more economical, and environmentally friendly fuels than gasoline alone, and are widely used in the transportation industry. The content of methanol in methanol gasoline plays an important role in ensuring the quality of gasoline. In some solutions, due to the shortage of energy and illegal profits, the problem of gasoline adulteration and its fineness, has received more and more attention, which would seriously affect the operating condition and service life of internal combustion engines. Therefore, it is very important to identify the correct level of gasoline. However, the traditional detection method is complex and time-consuming. To this end, the feasibility of using attenuated total reflectance Fourier transform infrared (ATR-FTIR) methods coupled with chemometrics methods were investigated to quantitatively and qualitatively analyze methanol gasoline. The qualitative analysis result of partial least squares discriminant analysis (PLS-DA) obtained 100% and 98.66% accuracy in the calibration set and the prediction set, respectively. As for quantitative analysis; two regression algorithms of partial least squares regression (PLSR) and the least square support vector machine (LS-SVM), as well as two variables selection methods of the successive projections algorithm (UVE) competitive adaptive reweighted sampling (CARS) and uninformative variable elimination (UVE) were combined to establish the quantitative model. By comparing the performance of the optimal models; the UVE-PLSR model performed best with a residual predictive deviation (RPD) value of 6.420. The qualitative and quantitative analysis results demonstrate the feasibility of using ATR-FTIR spectra to detect the methanol in methanol gasoline. It is believed that the promising IR spectra will be widely used in gasoline energy quality control in the further.


2015 ◽  
Vol 94 ◽  
pp. 466-474 ◽  
Author(s):  
Yingbin Gao ◽  
Xiangyu Kong ◽  
Changhua Hu ◽  
Zhengxin Zhang ◽  
Hongzeng Li ◽  
...  

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