Calibration model transfer for near-infrared spectra based on canonical correlation analysis

2008 ◽  
Vol 623 (1) ◽  
pp. 22-29 ◽  
Author(s):  
Wei Fan ◽  
Yizeng Liang ◽  
Dalin Yuan ◽  
Jiajun Wang
1993 ◽  
Vol 1 (2) ◽  
pp. 99-108 ◽  
Author(s):  
P. Robert ◽  
M.F. Devaux ◽  
A. Qannari ◽  
M. Safar

Multivariate data treatments were applied to mid and near infrared spectra of glucose, fructose and sucrose solutions in order to specify near infrared frequencies that characterise each carbohydrate. As a first step, the mid and near infrared regions were separately studied by performing Principal Component Analyses. While glucose, fructose and sucrose could be clearly identified on the similarity maps derived from the mid infrared spectra, only the total sugar content of the solutions was observed when using the near infrared region. Characteristic wavelengths of the total sugar content were found at 2118, 2270 and 2324 nm. In a second step, the mid and near infrared regions were jointly studied by a Canonical Correlation Analysis. As the assignments of frequencies are generally well known in the mid infrared region, it should be useful to study the relationships between the two infrared regions. Thus, the canonical patterns obtained from the near infrared spectra revealed wavelengths that characterised each carbohydrate. The OH and CH combination bands were observed at: 2088 and 2332 nm for glucose, 2134 and 2252 nm for fructose, 2058 and 2278 nm for sucrose. Although a precise assignment of the near infrared bands to chemical groups within the molecules was not possible, the present work showed that near infrared spectra of carbohydrates presented specific features.


1993 ◽  
Vol 47 (7) ◽  
pp. 1024-1029 ◽  
Author(s):  
M. F. Devaux ◽  
P. Robert ◽  
A. Qannari ◽  
M. Safar ◽  
E. Vigneau

A mathematical procedure based on Canonical Correlation Analysis (CCA) was used in order to assign the wavelengths of the near-infrared spectra through knowledge of the mid-infrared spectra. The relevance of the treatment was tested on commercial oils that mainly differ in their level of unsaturation. Initially, two separated Principal Component Analyses (PCAs) were performed on the near- and mid-infrared data to overcome the high intercorrelations across the wavelengths. CCA was then applied to the resulting principal components. Near- and mid-infrared canonical variates were assessed so that they achieved maximum correlation. The procedure makes it possible to draw CCA spectral patterns that exhibit significant positive and negative peaks. The first near-infrared canonical variate was highly correlated with the first mid-infrared canonical variate ( r2 = 0.97). The corresponding near- and mid-infrared CCA spectral patterns were therefore given the same interpretation. The mid-infrared pattern opposed negative peaks characteristic of CH2 groups to the positive peaks of CH3 and =CH groups. Consequently, in the near-infrared pattern, the positive peaks at 1708, 2140, 2170, and 2480 nm were assigned to CH3 or =CH groups, and the negative peaks at 2304, 2344, and 2445 nm were assigned to CH2 groups. A more precise interpretation was obtained by comparing the wavelengths observed to theoretical values and to previous assignments.


2019 ◽  
Vol 52 (14) ◽  
pp. 2188-2202 ◽  
Author(s):  
Junxing Yang ◽  
Xiaoping Lou ◽  
Hongqi Yang ◽  
Huibing Yang ◽  
Chaoying Liu ◽  
...  

2016 ◽  
Vol 157 ◽  
pp. 152-161 ◽  
Author(s):  
Qing-Ping Mei ◽  
Tai-Fu Li ◽  
Li-Zhong Yao ◽  
Di Huang ◽  
Yong-Long Yang

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