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| Content Provider | World Health Organization (WHO)-Global Index Medicus |
|---|---|
| Author | Neves, Ana Carolina de Oliveira Tauler, Romá de Lima, Kássio Michell Gomes |
| Description | Country affiliation: Brazil Author Affiliation: Neves AC ( Institute of Chemistry, Post Graduation Program in Chemistry, Biological Chemistry and Chemometrics Research Group, CEP 59072-970, Natal, RN, Brazil.); Tauler R ( IDAEA-CSIC, Jordi Girona 18-26, 08034 Barcelona, Spain.); de Lima KM ( Institute of Chemistry, Post Graduation Program in Chemistry, Biological Chemistry and Chemometrics Research Group, CEP 59072-970, Natal, RN, Brazil. Electronic address: kassiolima@gmail.com.) |
| Abstract | This work demonstrates the use of a new additional constraint for the Multivariate Curve Resolution-Alternating Least Squares (MCR-ALS) algorithm called 'area correlation constraint', introduced to build calibration models for Excitation Emission Matrix (EEM) data. We propose the application of area correlation constraint MCR-ALS for the quantification of cholesterol using a simulated data set and an experimental data system (cholesterol in a ternary mixture). This new constraint includes pseudo-univariate local regressions using the area of resolved profiles against reference values during the alternating least squares optimization, to provide directly accurate quantifications of a specific analyte in concentration units. In the two datasets investigated in this work, the new constraint retrieved correctly the analyte and interference spectral profiles and performed accurate estimations of cholesterol concentrations in test samples. This the first study using the proposed area constraint using EEM measurements. This new constraint approach emerges as a new possibility to be tested in general cases of second-order multivariate calibration data in the presence of unknown interferents or in more involved higher order calibration cases. |
| File Format | HTM / HTML |
| ISSN | 00032670 |
| Journal | Analytica Chimica Acta |
| Volume Number | 937 |
| e-ISSN | 18734324 |
| Language | English |
| Publisher | Elsevier |
| Publisher Date | 2016-09-21 |
| Publisher Place | Netherlands |
| Access Restriction | One Nation One Subscription (ONOS) |
| Content Type | Text |
| Resource Type | Article |
| Subject | Spectroscopy Environmental Chemistry Analytical Chemistry Biochemistry |
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