Second-order universal calibration

Ghaffari, Mahdiyeh; Khoshayand, Mohammad Reza; Duponchel, Ludovic; Abdollahi, Hamid

Document type :

Article dans une revue scientifique: Article original

DOI :

10.1016/j.talanta.2020.120787

Permalink :

http://hdl.handle.net/20.500.12210/108902

Title :

Second-order universal calibration

Author(s) :

Ghaffari, Mahdiyeh [Auteur]
Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 [LASIRE]
Institute for Advanced Studies in Basic Sciences [Zanjan] [IASBS]
Khoshayand, Mohammad Reza [Auteur]
Tehran University of Medical Sciences [TUMS]
Duponchel, Ludovic [Auteur]

Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement (LASIRE) - UMR 8516
Abdollahi, Hamid [Auteur]
Institute for Advanced Studies in Basic Sciences [Zanjan] [IASBS]

Journal title :

Talanta

Volume number :

212

Publication date :

2020

HAL domain(s) :

Planète et Univers [physics]/Sciences de la Terre

English abstract : [en]

Quantification and qualification of an analyte of interest in pharmaceutical tablets from different manufacturers/companies are a hard task because of the potential presence of various interfering molecules. Indeed, the ...
Show more >Quantification and qualification of an analyte of interest in pharmaceutical tablets from different manufacturers/companies are a hard task because of the potential presence of various interfering molecules. Indeed, the composition of the tablets covers a wide range of interferents which can be even unknown. As a consequence, we propose to determine the concentration of an analyte of interest regardless of the interferents using the concept of universal calibration. Universal calibration paves the way to the quantification of a specific chemical entity in samples with various compositions and different interferents. This is possible by the trilinear structure of analyte's signal. In fact, the second-order advantage resulting from the second-order universal calibration models is exploited. However, a new second-order calibration strategy was conducted in this work using Trilinear Factor Extraction (TFE). A simulated data set was exemplified to highlight the ability of the proposed procedure in order to accurate extraction of the analyte's concentration profile. Additionally, two real data sets were also explored in order to test the TFE method. In the first case, Acetaminophen was quantified using fluorescence spectroscopy in tablets with different formulations from 6 companies. In the second experimental data, a peptide (Valine-Tyrosine-Valine) was successfully quantified in different samples using spectrofluorimetric data. Finally, these real data sets were analyzed by Multivariate Curve resolution – Alternating Least-Squares (MCR-ALS) under non-negativity and trilinearity constraints for the sake of comparison. The calculated Root Mean Square Error of Predictions (RMSEP) of Acetaminophen were 0.028 and 0.026 for the MCR-ALS and TFE models, respectively. On the other hand, for the second experimental data set, the RMSEP were 0.216 and 0.165, respectively. Finally, based on a paired t-test, the results of MCR-ALS and TFE were not significantly different.Show less >

Audience :

Non spécifiée

Popular science :

Non

Administrative institution(s) :

ENSCL
CNRS
Université de Lille

Collections :

Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement (LASIRE) - UMR 8516

Research team(s) :

Propriétés magnéto structurales des matériaux (PMSM)

Submission date :

2024-02-21T17:12:02Z
2024-02-23T09:21:42Z
2024-02-23T09:31:20Z
2024-02-23T11:34:01Z

Version history

Version	Link	Modification date
4	20.500.12210/108902*	2024-02-23T11:33:30Z
3	20.500.12210/108902.3	2024-02-23T09:30:48Z
2	20.500.12210/108902.2	2024-02-23T09:18:18Z
1	20.500.12210/108902.1	2024-02-21T17:12:02Z

*Selected version

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