Determination of Nitrite in Food Samples by Kinetic Spectrophotometric Data and Multivariate Curve Resolution-Alternating Least Squares (MCR-ALS)

2016 ◽  
Vol 10 (3) ◽  
pp. 694-703 ◽  
Author(s):  
Masoud Shariati-Rad ◽  
Mohsen Irandoust ◽  
Shabnam Mohammadi
2019 ◽  
Vol 69 (2) ◽  
pp. 217-231 ◽  
Author(s):  
Ahmed Mostafa ◽  
Heba Shaaban

Abstract The study presents the application of multivariate curve resolution alternating least squares (MCR-ALS) with a correlation constraint for simultaneous resolution and quantification of ketoprofen, naproxen, paracetamol and caffeine as target analytes and triclosan as an interfering component in different water samples using UV-Vis spectrophotometric data. A multivariate regression model using the partial least squares regression (PLSR) algorithm was developed and calculated. The MCR-ALS results were compared with the PLSR obtained results. Both models were validated on external sample sets and were applied to the analysis of real water samples. Both models showed comparable and satisfactory results with the relative error of prediction of real water samples in the range of 1.70–9.75 % and 1.64–9.43 % for MCR-ALS and PLSR, resp. The obtained results show the potential of MCR-ALS with correlation constraint to be applied for the determination of different pharmaceuticals in complex environmental matrices.


2009 ◽  
Vol 655 (1-2) ◽  
pp. 38-42 ◽  
Author(s):  
Natalia Elizabeth Llamas ◽  
Mariano Garrido ◽  
María Susana Di Nezio ◽  
Beatriz Susana Fernández Band

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