Use of the Orthogonal Projection Approach (OPA) to Monitor Batch Processes

2003 ◽  
Vol 57 (1) ◽  
pp. 80-87 ◽  
Author(s):  
S. Gourvénec ◽  
C. Lamotte ◽  
P. Pestiaux ◽  
D. L. Massart
Keyword(s):  
Orthogonal Projection ◽  
Spectroscopic Data ◽  
Batch Processes ◽  
Multivariate Curve Resolution ◽  
Concentration Profiles ◽  
Curve Resolution ◽  
On Line ◽  
Real Concentration ◽  
Projection Approach

The orthogonal projection approach (OPA) and multivariate curve resolution (MCR) are presented as a way to monitor batch processes using spectroscopic data. Curve resolution allows one to look within a batch and predict on-line real concentration profiles of the different species appearing during reactions. Taking into account the variations of the process by using an augmented matrix of complete batches, the procedure explained here calculates some prediction coefficients that can afterwards be applied for a new batch.

Determination of the End Point of a Chemical Synthesis Process Using On-Line Measured Mid-Infrared Spectra

2000 ◽  
Vol 54 (4) ◽  
pp. 601-607 ◽  
Author(s):  
K. De Braekeleer ◽  
A. de Juan ◽  
F. Cuesta Sánchez ◽  
P. A. Hailey ◽  
D. C. A. Sharp ◽  
...  
Keyword(s):  
Steady State ◽  
Principal Component ◽  
Quantitative Information ◽  
Multivariate Curve Resolution ◽  
Synthesis Process ◽  
Synthetic Process ◽  
Mid Infrared ◽  
End Point ◽  
On Line ◽  
Projection Approach

The orthogonal projection approach (OPA), principal component analysis (PCA), and multivariate curve resolution alternating least-squares (MCR-ALS) are applied to detect the end point of an organic synthetic process monitored on-line by mid-infrared spectroscopy. The OPA dissimilarity criterion and the PCA plot are useful to follow the changes in the on-line measured spectra and to detect regions where a steady state of the synthesis is obtained. MCR-ALS is applied to obtain semi-quantitative information during the synthesis by analyzing the steady-state regions simultaneously. The concentrations of the components in the different steady-state regions are calculated with respect to their concentration in a reference steady-state region, chosen from the OPA dissimilarity and PCA plots.

scholarly journals Comparative Analysis of the Volatile Components ofAgrimonia eupatoriafrom Leaves and Roots by Gas Chromatography-Mass Spectrometry and Multivariate Curve Resolution

2013 ◽  
Vol 2013 ◽  
pp. 1-9 ◽  
Author(s):  
Xiao-Liang Feng ◽  
Yun-biao He ◽  
Yi-Zeng Liang ◽  
Yu-Lin Wang ◽  
Lan-Fang Huang ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Gas Chromatography ◽  
Orthogonal Projection ◽  
Multivariate Curve Resolution ◽  
Gas Chromatography Mass Spectrometry ◽  
Volatile Components ◽  
Curve Resolution ◽  
Plant Parts ◽  
Chromatography Mass Spectrometry ◽  
Leaves And Roots

Gas chromatography-mass spectrometry and multivariate curve resolution were applied to the differential analysis of the volatile components inAgrimonia eupatoriaspecimens from different plant parts. After extracted with water distillation method, the volatile components inAgrimonia eupatoriafrom leaves and roots were detected by GC-MS. Then the qualitative and quantitative analysis of the volatile components in the main root ofAgrimonia eupatoriawas completed with the help of subwindow factor analysis resolving two-dimensional original data into mass spectra and chromatograms. 68 of 87 separated constituents in the total ion chromatogram of the volatile components were identified and quantified, accounting for about 87.03% of the total content. Then, the common peaks in leaf were extracted with orthogonal projection resolution method. Among the components determined, there were 52 components coexisting in the studied samples although the relative content of each component showed difference to some extent. The results showed a fair consistency in their GC-MS fingerprint. It was the first time to apply orthogonal projection method to compare different plant parts ofAgrimonia eupatoria, and it reduced the burden of qualitative analysis as well as the subjectivity. The obtained results proved the combined approach powerful for the analysis of complexAgrimonia eupatoriasamples. The developed method can be used to further study and quality control ofAgrimonia eupatoria.

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