Second-order advantage obtained from standard addition first-order instrumental data and multivariate curve resolution-alternating least squares : calculation of the feasible bands of results

dc.creatorMohseni, Naimeh
dc.creatorBahram, Morteza
dc.creatorOlivieri, Alejandro César
dc.creatorFarhadi, Khalil
dc.date2018-02-05T00:20:35Z
dc.date2018-02-05T00:20:35Z
dc.date2014-03-25
dc.date2018-02-05T00:20:35Z
dc.date2018-02-05T00:20:35Z
dc.date2014-03-25
dc.date.accessioned2019-05-17T20:24:19Z
dc.date.available2019-05-17T20:24:19Z
dc.identifier1386-1425
dc.identifierhttp://hdl.handle.net/2133/10501
dc.identifierhttp://hdl.handle.net/2133/10501
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/2680009
dc.descriptionIn order to achieve the second-order advantage, second-order data per sample is usually required, e.g., kinetic-spectrophotometric data. In this study, instead of monitoring the time evolution of spectra (and collecting the kinetic-spectrophotometric data) replicate spectra are used to build a virtual second order data. This data matrix (replicate mode k) is rank deficient. Augmentation of these data with standard addition data [or standard sample(s)] will break the rank deficiency, making the quantification of the analyte of interest possible. The MCR-ALS algorithm was applied for the resolution and quantitation of the analyte in both simulated and experimental data sets. In order to evaluate the rotational ambiguityin the retrieved solutions, the MCR-BANDS algorithm was employed. It has been shown that the reliability of the quantitative results significantly depends on the amount of spectral overlap in the spectral region of occurrence of the compound of interest and the remaining constituent(s).
dc.descriptionFil: Mohseni, Naimeh. Urmia University. Faculty of Chemistry. Department of Analytical Chemistry; Iran.
dc.descriptionFil: Bahram, Morteza. Urmia University. Faculty of Chemistry. Department of Analytical Chemistry; Iran.
dc.descriptionFil: Olivieri, Alejandro César. Universidad Nacional de Rosario. Facultad de Ciencias Bioquímicas y Farmacéuticas. Departamento de Química Analítica. Instituto de Química Rosario (IQUIR-CONICET); Argentina.
dc.descriptionFil: Farhadi, Khalil. Urmia University. Faculty of Chemistry. Department of Analytical Chemistry; Iran.
dc.formatapplication/pdf
dc.languageeng
dc.publisherElsevier
dc.relationhttps://www.sciencedirect.com/science/article/pii/S1386142513013905
dc.relationhttps://doi.org/10.1016/j.saa.2013.11.073
dc.rightshttp://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.rightsUniversidad Nacional de Rosario
dc.rightsElsevier
dc.rightsMohseni, Naimeh
dc.rightsBahram, Morteza
dc.rightsOlivieri, Alejandro César
dc.rightsFarhadi, Khalil
dc.rightsAttribution-NonCommercial-NoDerivs 3.0 Unported (CC BY-NC-ND 3.0)
dc.rightsopenAccess
dc.subjectMCR-ALS
dc.subjectSecond-order Advantage
dc.subjectFirst-order Data
dc.subjectStandard Addition
dc.subjectFeasible Solutions
dc.titleSecond-order advantage obtained from standard addition first-order instrumental data and multivariate curve resolution-alternating least squares : calculation of the feasible bands of results


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